4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H21Cl2N3O2 — CID 54813173

IUPAC4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H21Cl2N3O2/c1-15(16-5-3-2-4-6-16)27-23(30)17-7-9-18(10-8-17)28-22(29)14-26-19-11-12-20(24)21(25)13-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyDAILLVQNCCOOPZ-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.53
Rot. Bonds7

About 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54813173) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54813173
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H21Cl2N3O2/c1-15(16-5-3-2-4-6-16)27-23(30)17-7-9-18(10-8-17)28-22(29)14-26-19-11-12-20(24)21(25)13-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyDAILLVQNCCOOPZ-UHFFFAOYSA-N
XLogP5.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide 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

4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54820620
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54813173) is 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is DAILLVQNCCOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-15(16-5-3-2-4-6-16)27-23(30)17-7-9-18(10-8-17)28-22(29)14-26-19-11-12-20(24)21(25)13-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 442.35 g/mol, XLogP of 5.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54813173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).