N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide

C23H19Cl2N3O3 — CID 121063142

IUPACN-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)14-17)23(31)28-18-9-6-16(7-10-18)22(30)27-13-12-26-21(29)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIHDQJKMFPCRWPH-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.41
Rot. Bonds7

About N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide

N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 121063142) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
PubChem CID121063142
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC NameN-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)14-17)23(31)28-18-9-6-16(7-10-18)22(30)27-13-12-26-21(29)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIHDQJKMFPCRWPH-UHFFFAOYSA-N
XLogP4.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide 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-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide (CID 121063142) is N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide is O=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is IHDQJKMFPCRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)14-17)23(31)28-18-9-6-16(7-10-18)22(30)27-13-12-26-21(29)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 456.33 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 121063142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).