ethyl N-[(2-fluorophenyl)(2-oxocycloheptyl)methyl]carbamate

ethyl N-[(2-fluorophenyl)(2-oxocycloheptyl)methyl]carbamate

CAS: 478063-89-7

Formula: C17H22FNO3

SMILES: CCOC(=O)NC(C1CCCCCC1=O)C1=C(F)C=CC=C1

IUPAC: ethyl N-[(2-fluorophenyl)(2-oxocycloheptyl)methyl]carbamate

InChI: InChI=1/C17H22FNO3/c1-2-22-17(21)19-16(12-8-6-7-10-14(12)18)13-9-4-3-5-11-15(13)20/h6-8,10,13,16H,2-5,9,11H2,1H3,(H,19,21)

Composition: C (66.43%), H (7.21%), F (6.18%), N (4.56%), O (15.62%)

Molar Mass: 307.365

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	307.158371735
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YKUFZUFGJRFXKK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.17
Topological Polar Surface Area	55.4
Polarizability	31.52
Ring Count	2
Rotatable Bond Count	5

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