methyl 3'-(ethylcarbamoyl)-2-fluoro-[1,1'-biphenyl]-3-carboxylate

methyl 3'-(ethylcarbamoyl)-2-fluoro-[1,1'-biphenyl]-3-carboxylate

CAS: 1381944-61-1

Formula: C17H16FNO3

SMILES: CCNC(=O)C1=CC=CC(=C1)C1=CC=CC(C(=O)OC)=C1F

IUPAC: methyl 3'-(ethylcarbamoyl)-2-fluoro-[1,1'-biphenyl]-3-carboxylate

InChI: InChI=1S/C17H16FNO3/c1-3-19-16(20)12-7-4-6-11(10-12)13-8-5-9-14(15(13)18)17(21)22-2/h4-10H,3H2,1-2H3,(H,19,20)

Composition: C (67.76%), H (5.35%), F (6.31%), N (4.65%), O (15.93%)

Molar Mass: 301.317

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.111421542
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZMOVGIKREHHAKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.16
Topological Polar Surface Area	55.4
Polarizability	31.86
Ring Count	2
Rotatable Bond Count	5

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