N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide

C19H16ClN3O — CID 4578193

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O/c1-14(15-8-10-16(20)11-9-15)21-22-19(24)17-6-2-3-7-18(17)23-12-4-5-13-23/h2-13H,1H3,(H,22,24)
InChIKeyQWOTVBQEWULJLP-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide

N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 4578193) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID4578193
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O/c1-14(15-8-10-16(20)11-9-15)21-22-19(24)17-6-2-3-7-18(17)23-12-4-5-13-23/h2-13H,1H3,(H,22,24)
InChIKeyQWOTVBQEWULJLP-UHFFFAOYSA-N
XLogP4.28
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide 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-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 17126850
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 6293320
N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012277
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
[2-[C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-chlorobenzoate
CID 4062894
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
CID 16555755
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide (CID 4578193) is N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide is CC(=NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is QWOTVBQEWULJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-14(15-8-10-16(20)11-9-15)21-22-19(24)17-6-2-3-7-18(17)23-12-4-5-13-23/h2-13H,1H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 337.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 4578193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).