N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide

C14H12ClN3O — CID 9025596

IUPACN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\C(Cl)=C\c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H12ClN3O/c15-12(9-11-5-2-1-3-6-11)10-17-18-14(19)13-7-4-8-16-13/h1-10,16H,(H,18,19)/b12-9-,17-10-
InChIKeyFKLDVLRMVAZLIL-ABYSCFCFSA-N
MW273.72 g/mol
LogP3.01
Rot. Bonds4

About N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide

N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide (PubChem CID 9025596) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
PubChem CID9025596
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\C(Cl)=C\c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H12ClN3O/c15-12(9-11-5-2-1-3-6-11)10-17-18-14(19)13-7-4-8-16-13/h1-10,16H,(H,18,19)/b12-9-,17-10-
InChIKeyFKLDVLRMVAZLIL-ABYSCFCFSA-N
XLogP3.01
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide 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-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4139061
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861718
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-pyrrol-1-ylbenzamide
CID 4086901
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 6879712
5-tert-butyl-N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 44722262
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129432016
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide
CID 6862524
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 3578448

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide (CID 9025596) is N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide is O=C(N/N=C\C(Cl)=C\c1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide?
The InChIKey is FKLDVLRMVAZLIL-ABYSCFCFSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-12(9-11-5-2-1-3-6-11)10-17-18-14(19)13-7-4-8-16-13/h1-10,16H,(H,18,19)/b12-9-,17-10-.
What are the key properties of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide?
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9025596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).