N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide

C22H25ClF2N2O — CID 57401145

IUPACN-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C22H25ClF2N2O/c23-19-8-6-18(7-9-19)21(22(24)25)26-20(28)12-15-27-13-10-17(11-14-27)16-4-2-1-3-5-16/h1-9,17,21-22H,10-15H2,(H,26,28)
InChIKeyHFGYUSWPDIQUCY-UHFFFAOYSA-N
MW406.90 g/mol
LogP5.03
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57401145) has the molecular formula C22H25ClF2N2O and a molecular weight of 406.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57401145
Molecular FormulaC22H25ClF2N2O
Molecular Weight406.90 g/mol
Exact Mass406.16
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C22H25ClF2N2O/c23-19-8-6-18(7-9-19)21(22(24)25)26-20(28)12-15-27-13-10-17(11-14-27)16-4-2-1-3-5-16/h1-9,17,21-22H,10-15H2,(H,26,28)
InChIKeyHFGYUSWPDIQUCY-UHFFFAOYSA-N
XLogP5.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.90
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Uamc00039
CID 11232124
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 24857886
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448660
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57401145) is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide is O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is HFGYUSWPDIQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N2O/c23-19-8-6-18(7-9-19)21(22(24)25)26-20(28)12-15-27-13-10-17(11-14-27)16-4-2-1-3-5-16/h1-9,17,21-22H,10-15H2,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 406.90 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57401145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).