3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C26H27ClN4O3 — CID 54837359

IUPAC3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H27ClN4O3/c1-3-8-24(32)29-20-13-14-22(27)23(16-20)30-25(33)17-28-19-10-7-9-18(15-19)26(34)31(2)21-11-5-4-6-12-21/h4-7,9-16,28H,3,8,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAUWGBICOUDLMMX-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.41
Rot. Bonds9

About 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837359) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837359
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H27ClN4O3/c1-3-8-24(32)29-20-13-14-22(27)23(16-20)30-25(33)17-28-19-10-7-9-18(15-19)26(34)31(2)21-11-5-4-6-12-21/h4-7,9-16,28H,3,8,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAUWGBICOUDLMMX-UHFFFAOYSA-N
XLogP5.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838462
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837359) is 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is AUWGBICOUDLMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-3-8-24(32)29-20-13-14-22(27)23(16-20)30-25(33)17-28-19-10-7-9-18(15-19)26(34)31(2)21-11-5-4-6-12-21/h4-7,9-16,28H,3,8,17H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 478.98 g/mol, XLogP of 5.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).