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

C25H23ClF2N2O — CID 134803209

IUPAC4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClF2N2O/c26-21-7-4-18(5-8-21)25(31)29-22-10-12-30(13-11-22)16-17-2-1-3-19(14-17)20-6-9-23(27)24(28)15-20/h1-9,14-15,22H,10-13,16H2,(H,29,31)
InChIKeyGGHOMWOUDDMBFL-UHFFFAOYSA-N
MW440.92 g/mol
LogP5.68
Rot. Bonds5

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

4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134803209) has the molecular formula C25H23ClF2N2O and a molecular weight of 440.92 g/mol. Its IUPAC name is 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134803209
Molecular FormulaC25H23ClF2N2O
Molecular Weight440.92 g/mol
Exact Mass440.15
IUPAC Name4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClF2N2O/c26-21-7-4-18(5-8-21)25(31)29-22-10-12-30(13-11-22)16-17-2-1-3-19(14-17)20-6-9-23(27)24(28)15-20/h1-9,14-15,22H,10-13,16H2,(H,29,31)
InChIKeyGGHOMWOUDDMBFL-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

Saredutant
CID 104974
Ssr-504734
CID 9954540
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
Calhex 231
CID 11849514
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 9850582
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134803209) is 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-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)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is GGHOMWOUDDMBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N2O/c26-21-7-4-18(5-8-21)25(31)29-22-10-12-30(13-11-22)16-17-2-1-3-19(14-17)20-6-9-23(27)24(28)15-20/h1-9,14-15,22H,10-13,16H2,(H,29,31).
What are the key properties of 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide?
4-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 4-chloro-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134803209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).