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

C20H23ClN2O3 — CID 1228530

IUPAC4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)9-10-22-19(24)15-7-8-17(21)18(12-15)23-20(25)14-5-4-6-16(11-14)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOOBVZQDQKBEWRY-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.38
Rot. Bonds7

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

4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide (PubChem CID 1228530) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
PubChem CID1228530
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)9-10-22-19(24)15-7-8-17(21)18(12-15)23-20(25)14-5-4-6-16(11-14)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOOBVZQDQKBEWRY-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1020096
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
CID 58173078
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide (CID 1228530) is 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide is COc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide?
The InChIKey is OOBVZQDQKBEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)9-10-22-19(24)15-7-8-17(21)18(12-15)23-20(25)14-5-4-6-16(11-14)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide?
4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 1228530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).