N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

CAS: 1922098-69-8

Formula: C23H19ClF2N2O3

SMILES: FC1(F)CC(CN(C1)C(=O)C1=CC=CC(=C1)C1=CC=CO1)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

InChI: InChI=1/C23H19ClF2N2O3/c24-18-6-8-19(9-7-18)27-21(29)17-12-23(25,26)14-28(13-17)22(30)16-4-1-3-15(11-16)20-5-2-10-31-20/h1-11,17H,12-14H2,(H,27,29)

Composition: C (62.10%), H (4.31%), Cl (7.97%), F (8.54%), N (6.30%), O (10.79%)

Molar Mass: 444.86

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	444.1052265
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PMTPYUTZAJWGPE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.94
Topological Polar Surface Area	62.55
Polarizability	43.4
Ring Count	4
Rotatable Bond Count	4

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