2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide

C21H22Cl2N2O2 — CID 108554637

IUPAC2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1C
InChIInChI=1S/C21H22Cl2N2O2/c1-13-3-4-15(11-14(13)2)21(27)25-9-7-17(8-10-25)24-20(26)18-12-16(22)5-6-19(18)23/h3-6,11-12,17H,7-10H2,1-2H3,(H,24,26)
InChIKeyRTYMQSODUFPJLV-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.64
Rot. Bonds3

About 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide

2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108554637) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108554637
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1C
InChIInChI=1S/C21H22Cl2N2O2/c1-13-3-4-15(11-14(13)2)21(27)25-9-7-17(8-10-25)24-20(26)18-12-16(22)5-6-19(18)23/h3-6,11-12,17H,7-10H2,1-2H3,(H,24,26)
InChIKeyRTYMQSODUFPJLV-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide (CID 108554637) is 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1C.
What is the InChIKey of 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is RTYMQSODUFPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-13-3-4-15(11-14(13)2)21(27)25-9-7-17(8-10-25)24-20(26)18-12-16(22)5-6-19(18)23/h3-6,11-12,17H,7-10H2,1-2H3,(H,24,26).
What are the key properties of 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 405.33 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108554637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).