N-{4-[(4-chlorophenyl)sulfanyl]-3-cyanophenyl}-4-fluorobenzamide

N-{4-[(4-chlorophenyl)sulfanyl]-3-cyanophenyl}-4-fluorobenzamide

CAS: 306980-47-2

Formula: C20H12ClFN2OS

SMILES: FC1=CC=C(C=C1)C(=O)NC1=CC(C#N)=C(SC2=CC=C(Cl)C=C2)C=C1

IUPAC: N-{4-[(4-chlorophenyl)sulfanyl]-3-cyanophenyl}-4-fluorobenzamide

InChI: InChI=1S/C20H12ClFN2OS/c21-15-3-8-18(9-4-15)26-19-10-7-17(11-14(19)12-23)24-20(25)13-1-5-16(22)6-2-13/h1-11H,(H,24,25)

Composition: C (62.75%), H (3.16%), Cl (9.26%), F (4.96%), N (7.32%), O (4.18%), S (8.37%)

Molar Mass: 382.84

Atom Count: 38

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.0342901
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OLPDEGYYDCAYCK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.02
Topological Polar Surface Area	52.89
Polarizability	38.92
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	306980-47-2		$51.35-$524.40$51.35$63.37$86.31$524.40