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

C20H21ClN2O2 — CID 17179593

IUPAC2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-14-10-12-23(13-11-14)20(25)15-6-8-16(9-7-15)22-19(24)17-4-2-3-5-18(17)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyGUDZLROQFWIHRP-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.46
Rot. Bonds3

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

2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 17179593) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID17179593
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-14-10-12-23(13-11-14)20(25)15-6-8-16(9-7-15)22-19(24)17-4-2-3-5-18(17)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyGUDZLROQFWIHRP-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179770
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 1289850
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
2-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196594
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46384471
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5001175
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 17179593) is 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is GUDZLROQFWIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-10-12-23(13-11-14)20(25)15-6-8-16(9-7-15)22-19(24)17-4-2-3-5-18(17)21/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.46, 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-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17179593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).