N-(3-chloro-2-methylphenyl)-3-(2-fluoro-4-nitrophenoxy)thiophene-2-carboxamide

N-(3-chloro-2-methylphenyl)-3-(2-fluoro-4-nitrophenoxy)thiophene-2-carboxamide

CAS: 303152-56-9

Formula: C18H12ClFN2O4S

SMILES: CC1=C(Cl)C=CC=C1NC(=O)C1=C(OC2=C(F)C=C(C=C2)[N+]([O-])=O)C=CS1

IUPAC: N-(3-chloro-2-methylphenyl)-3-(2-fluoro-4-nitrophenoxy)thiophene-2-carboxamide

InChI: InChI=1S/C18H12ClFN2O4S/c1-10-12(19)3-2-4-14(10)21-18(23)17-16(7-8-27-17)26-15-6-5-11(22(24)25)9-13(15)20/h2-9H,1H3,(H,21,23)

Composition: C (53.14%), H (2.97%), Cl (8.71%), F (4.67%), N (6.89%), O (15.73%), S (7.88%)

Molar Mass: 406.81

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	406.0190339
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VAAPRWMRFWMHBL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.11
Topological Polar Surface Area	81.47
Polarizability	37.27
Ring Count	3
Rotatable Bond Count	5

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