4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide

C25H26ClN3O2 — CID 42705311

IUPAC4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESCCc1ccc(NC(=O)NCCCN(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H26ClN3O2/c1-2-19-9-15-22(16-10-19)28-25(31)27-17-6-18-29(23-7-4-3-5-8-23)24(30)20-11-13-21(26)14-12-20/h3-5,7-16H,2,6,17-18H2,1H3,(H2,27,28,31)
InChIKeyCIXAAPGCHPQDJR-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.76
Rot. Bonds8

About 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide

4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide (PubChem CID 42705311) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
PubChem CID42705311
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESCCc1ccc(NC(=O)NCCCN(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H26ClN3O2/c1-2-19-9-15-22(16-10-19)28-25(31)27-17-6-18-29(23-7-4-3-5-8-23)24(30)20-11-13-21(26)14-12-20/h3-5,7-16H,2,6,17-18H2,1H3,(H2,27,28,31)
InChIKeyCIXAAPGCHPQDJR-UHFFFAOYSA-N
XLogP5.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide 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

1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
CID 42703058
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-4-fluoro-N-phenylbenzamide
CID 42705688
4-butyl-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]benzamide
CID 42700558
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
CID 42705713
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
CID 22506194
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
CID 52594655
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42706747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The IUPAC name of 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide (CID 42705311) is 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The canonical SMILES for 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide is CCc1ccc(NC(=O)NCCCN(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The InChIKey is CIXAAPGCHPQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-2-19-9-15-22(16-10-19)28-25(31)27-17-6-18-29(23-7-4-3-5-8-23)24(30)20-11-13-21(26)14-12-20/h3-5,7-16H,2,6,17-18H2,1H3,(H2,27,28,31).
What are the key properties of 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide has a molecular weight of 435.96 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide is sourced from PubChem (CID 42705311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).