4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide

C20H23ClN2O2 — CID 1020096

IUPAC4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)9-10-22-19(24)16-7-8-17(21)18(12-16)23-20(25)15-6-4-5-14(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVEHJJBVNITMOE-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.68
Rot. Bonds6

About 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide

4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide (PubChem CID 1020096) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
PubChem CID1020096
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)9-10-22-19(24)16-7-8-17(21)18(12-16)23-20(25)15-6-4-5-14(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVEHJJBVNITMOE-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1228530
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
3-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979411
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide (CID 1020096) is 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide is Cc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide?
The InChIKey is LVEHJJBVNITMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)9-10-22-19(24)16-7-8-17(21)18(12-16)23-20(25)15-6-4-5-14(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide?
4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide has a molecular weight of 358.87 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 1020096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).