2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide

C20H21ClN2O2 — CID 2961696

IUPAC2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-6-4-5-13-23(14)20(25)15-9-11-16(12-10-15)22-19(24)17-7-2-3-8-18(17)21/h2-3,7-12,14H,4-6,13H2,1H3,(H,22,24)
InChIKeyKTFBNDLLGXFXPT-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide

2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 2961696) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID2961696
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14-6-4-5-13-23(14)20(25)15-9-11-16(12-10-15)22-19(24)17-7-2-3-8-18(17)21/h2-3,7-12,14H,4-6,13H2,1H3,(H,22,24)
InChIKeyKTFBNDLLGXFXPT-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 2961696) is 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is KTFBNDLLGXFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-6-4-5-13-23(14)20(25)15-9-11-16(12-10-15)22-19(24)17-7-2-3-8-18(17)21/h2-3,7-12,14H,4-6,13H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2961696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).