N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide

C23H21ClN2O2 — CID 52741879

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-19-12-14-20(15-13-19)26-22(27)16-25-23(28)21-9-5-4-8-18(21)11-10-17-6-2-1-3-7-17/h1-9,12-15H,10-11,16H2,(H,25,28)(H,26,27)
InChIKeyXBQLBRYUNPJQRT-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide

N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide (PubChem CID 52741879) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
PubChem CID52741879
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-19-12-14-20(15-13-19)26-22(27)16-25-23(28)21-9-5-4-8-18(21)11-10-17-6-2-1-3-7-17/h1-9,12-15H,10-11,16H2,(H,25,28)(H,26,27)
InChIKeyXBQLBRYUNPJQRT-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-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-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
CID 19181459
2-[(4-chlorophenyl)carbamothioylamino]-N-phenylacetamide
CID 87893882
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
CID 122146631
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
2-[(4-chlorophenyl)carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 100642465

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide (CID 52741879) is N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide is O=C(CNC(=O)c1ccccc1CCc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The InChIKey is XBQLBRYUNPJQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-19-12-14-20(15-13-19)26-22(27)16-25-23(28)21-9-5-4-8-18(21)11-10-17-6-2-1-3-7-17/h1-9,12-15H,10-11,16H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide has a molecular weight of 392.89 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 52741879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).