2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide

C29H25ClN2O3 — CID 155965274

IUPAC2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide
SMILESCC(Nc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C29H25ClN2O3/c1-20(21-9-3-2-4-10-21)31-26-13-7-8-14-27(26)32-28(33)19-35-23-17-15-22(16-18-23)29(34)24-11-5-6-12-25(24)30/h2-18,20,31H,19H2,1H3,(H,32,33)
InChIKeyAECJNQBUYXZZEJ-UHFFFAOYSA-N
MW484.98 g/mol
LogP6.76
Rot. Bonds9

About 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide

2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide (PubChem CID 155965274) has the molecular formula C29H25ClN2O3 and a molecular weight of 484.98 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide
PubChem CID155965274
Molecular FormulaC29H25ClN2O3
Molecular Weight484.98 g/mol
Exact Mass484.16
IUPAC Name2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide
SMILESCC(Nc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C29H25ClN2O3/c1-20(21-9-3-2-4-10-21)31-26-13-7-8-14-27(26)32-28(33)19-35-23-17-15-22(16-18-23)29(34)24-11-5-6-12-25(24)30/h2-18,20,31H,19H2,1H3,(H,32,33)
InChIKeyAECJNQBUYXZZEJ-UHFFFAOYSA-N
XLogP6.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide 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

N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
CID 178200902
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide (CID 155965274) is 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide is CC(Nc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide?
The InChIKey is AECJNQBUYXZZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O3/c1-20(21-9-3-2-4-10-21)31-26-13-7-8-14-27(26)32-28(33)19-35-23-17-15-22(16-18-23)29(34)24-11-5-6-12-25(24)30/h2-18,20,31H,19H2,1H3,(H,32,33).
What are the key properties of 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide?
2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide has a molecular weight of 484.98 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)phenoxy]-N-[2-(1-phenylethylamino)phenyl]acetamide is sourced from PubChem (CID 155965274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).