2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide

C21H23ClN2O2 — CID 108550857

IUPAC2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-14-7-8-16(13-15(14)2)21(26)24-11-9-17(10-12-24)23-20(25)18-5-3-4-6-19(18)22/h3-8,13,17H,9-12H2,1-2H3,(H,23,25)
InChIKeyHHLPYWVDBGQWGU-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.99
Rot. Bonds3

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

2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108550857) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108550857
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-14-7-8-16(13-15(14)2)21(26)24-11-9-17(10-12-24)23-20(25)18-5-3-4-6-19(18)22/h3-8,13,17H,9-12H2,1-2H3,(H,23,25)
InChIKeyHHLPYWVDBGQWGU-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide (CID 108550857) is 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1C.
What is the InChIKey of 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is HHLPYWVDBGQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-7-8-16(13-15(14)2)21(26)24-11-9-17(10-12-24)23-20(25)18-5-3-4-6-19(18)22/h3-8,13,17H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).