2-chloro-5-phenyl-N-piperidin-3-ylbenzamide

C18H19ClN2O — CID 119427288

IUPAC2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-9-8-14(13-5-2-1-3-6-13)11-16(17)18(22)21-15-7-4-10-20-12-15/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2,(H,21,22)
InChIKeyMONJYPACKBYLRW-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.49
Rot. Bonds3

About 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide

2-chloro-5-phenyl-N-piperidin-3-ylbenzamide (PubChem CID 119427288) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
PubChem CID119427288
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-9-8-14(13-5-2-1-3-6-13)11-16(17)18(22)21-15-7-4-10-20-12-15/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2,(H,21,22)
InChIKeyMONJYPACKBYLRW-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
N-piperidin-3-ylbenzamide
CID 22017045
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-methyl-6-phenyl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426479
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide (CID 119427288) is 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide?
The InChIKey is MONJYPACKBYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-9-8-14(13-5-2-1-3-6-13)11-16(17)18(22)21-15-7-4-10-20-12-15/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2,(H,21,22).
What are the key properties of 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide?
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide has a molecular weight of 314.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119427288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).