[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate

C21H15Cl2NO3 — CID 67213098

IUPAC[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2NO3/c1-13-8-9-18(24-20(25)14-4-2-6-16(22)10-14)12-19(13)27-21(26)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,24,25)
InChIKeySBHZGYDIVJOSAW-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.77
Rot. Bonds4

About [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate

[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate (PubChem CID 67213098) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
PubChem CID67213098
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC Name[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2NO3/c1-13-8-9-18(24-20(25)14-4-2-6-16(22)10-14)12-19(13)27-21(26)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,24,25)
InChIKeySBHZGYDIVJOSAW-UHFFFAOYSA-N
XLogP5.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate 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-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
(4-chloro-2-methylphenyl) 3-(pyridine-3-carbonylamino)benzoate
CID 39995278
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate?
The IUPAC name of [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate (CID 67213098) is [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate.
What is the SMILES notation for [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate?
The canonical SMILES for [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate is Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc(Cl)c1.
What is the InChIKey of [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate?
The InChIKey is SBHZGYDIVJOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c1-13-8-9-18(24-20(25)14-4-2-6-16(22)10-14)12-19(13)27-21(26)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,24,25).
What are the key properties of [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate?
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate has a molecular weight of 400.26 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate is sourced from PubChem (CID 67213098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).