4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide

C24H17Cl2N3O3 — CID 1194953

IUPAC4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H17Cl2N3O3/c25-17-7-4-8-19(13-17)28-22(30)16-9-11-18(12-10-16)27-21-20(26)23(31)29(24(21)32)14-15-5-2-1-3-6-15/h1-13,27H,14H2,(H,28,30)
InChIKeyYBYSBVXYNRCLBH-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.02
Rot. Bonds6

About 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide

4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide (PubChem CID 1194953) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
PubChem CID1194953
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H17Cl2N3O3/c25-17-7-4-8-19(13-17)28-22(30)16-9-11-18(12-10-16)27-21-20(26)23(31)29(24(21)32)14-15-5-2-1-3-6-15/h1-13,27H,14H2,(H,28,30)
InChIKeyYBYSBVXYNRCLBH-UHFFFAOYSA-N
XLogP5.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)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-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-iodophenyl)benzamide
CID 1194956
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-fluorophenyl)benzamide
CID 1194865
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2,4,6-trimethylphenyl)benzamide
CID 1178256
methyl 3-[[3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoyl]amino]benzoate
CID 1194869
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2-ethylphenyl)benzamide
CID 1194962
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2,4-dimethylphenyl)benzamide
CID 1194939
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide
CID 1194898
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 1407640
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1178263
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1407639
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide (CID 1194953) is 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide?
The InChIKey is YBYSBVXYNRCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c25-17-7-4-8-19(13-17)28-22(30)16-9-11-18(12-10-16)27-21-20(26)23(31)29(24(21)32)14-15-5-2-1-3-6-15/h1-13,27H,14H2,(H,28,30).
What are the key properties of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide?
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide has a molecular weight of 466.32 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 1194953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).