2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide

C25H23ClF2N2O — CID 134801495

IUPAC2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H23ClF2N2O/c26-22-7-2-1-6-21(22)25(31)29-20-10-12-30(13-11-20)16-17-4-3-5-18(14-17)19-8-9-23(27)24(28)15-19/h1-9,14-15,20H,10-13,16H2,(H,29,31)
InChIKeyQBFAOJKLNZVKLE-UHFFFAOYSA-N
MW440.92 g/mol
LogP5.68
Rot. Bonds5

About 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134801495) has the molecular formula C25H23ClF2N2O and a molecular weight of 440.92 g/mol. Its IUPAC name is 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134801495
Molecular FormulaC25H23ClF2N2O
Molecular Weight440.92 g/mol
Exact Mass440.15
IUPAC Name2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H23ClF2N2O/c26-22-7-2-1-6-21(22)25(31)29-20-10-12-30(13-11-20)16-17-4-3-5-18(14-17)19-8-9-23(27)24(28)15-19/h1-9,14-15,20H,10-13,16H2,(H,29,31)
InChIKeyQBFAOJKLNZVKLE-UHFFFAOYSA-N
XLogP5.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.92
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
Ssr-103800
CID 53316381
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
N-methyl-SSR504734
CID 11704260
N-(2-chlorophenethyl)-N-(pyrrolidin-3-yl)-4-((3-o-tolylpiperidin-1-yl)methyl)benzamide
CID 44433047
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
3-[[3-(dimethylamino)propyl-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11535362
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134801495) is 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is QBFAOJKLNZVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N2O/c26-22-7-2-1-6-21(22)25(31)29-20-10-12-30(13-11-20)16-17-4-3-5-18(14-17)19-8-9-23(27)24(28)15-19/h1-9,14-15,20H,10-13,16H2,(H,29,31).
What are the key properties of 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 440.92 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134801495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).