4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide

C19H22BrN3O2 — CID 54816290

IUPAC4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-2-3-12-21-19(25)14-8-10-15(11-9-14)23-18(24)13-22-17-7-5-4-6-16(17)20/h4-11,22H,2-3,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyLMPIMNOLFQHLRU-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.03
Rot. Bonds8

About 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide

4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide (PubChem CID 54816290) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
PubChem CID54816290
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-2-3-12-21-19(25)14-8-10-15(11-9-14)23-18(24)13-22-17-7-5-4-6-16(17)20/h4-11,22H,2-3,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyLMPIMNOLFQHLRU-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 42069174
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
CID 54819409
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide (CID 54816290) is 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1.
What is the InChIKey of 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide?
The InChIKey is LMPIMNOLFQHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-2-3-12-21-19(25)14-8-10-15(11-9-14)23-18(24)13-22-17-7-5-4-6-16(17)20/h4-11,22H,2-3,12-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide?
4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide has a molecular weight of 404.31 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 54816290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).