(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide

C15H11ClN2O — CID 11054763

IUPAC(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)/N=N/c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)17-18-15(19)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+,18-17+
InChIKeyRZZGQWUTIWJVAD-PPYCHTFHSA-N
MW270.72 g/mol
LogP4.66
Rot. Bonds3

About (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide

(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide (PubChem CID 11054763) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide
PubChem CID11054763
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)/N=N/c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)17-18-15(19)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+,18-17+
InChIKeyRZZGQWUTIWJVAD-PPYCHTFHSA-N
XLogP4.66
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide 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-(diaminomethylidene)-3-(2,6-dichlorophenyl)prop-2-enamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174544055
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
CID 134920511
1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 168806063
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide (CID 11054763) is (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)/N=N/c1ccccc1Cl.
What is the InChIKey of (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide?
The InChIKey is RZZGQWUTIWJVAD-PPYCHTFHSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-8-4-5-9-14(13)17-18-15(19)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+,18-17+.
What are the key properties of (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide?
(E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide has a molecular weight of 270.72 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)imino-3-phenylprop-2-enamide is sourced from PubChem (CID 11054763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).