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(2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

CAS: 1923833-60-6

Formula: C24H24ClFN2O

SMILES: C[C@H]([C@H]1CC[C@H](CC1)C1=CC=NC2=CC=C(F)C=C12)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: (2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

InChI: InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1

Composition: C (70.15%), H (5.89%), Cl (8.63%), F (4.62%), N (6.82%), O (3.89%)

Molar Mass: 410.92

Atom Count: 53

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 410.1561193
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KRTIYQIPSAGSBP-ZACQAIPSSA-N
Lipinski's Rule of Five
Molar Refractivity 114.86
Topological Polar Surface Area 41.99
Polarizability 45
Ring Count 4
Rotatable Bond Count 4

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98% <5 Days 1923833-60-6 $30.26-$300.12$30.26$74.40$177.80$300.12
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98% <4 Days 1923833-60-6 $68.03-$392.14$68.03$103.96$191.86$392.14
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