(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide

C15H13ClN2O — CID 2517818

IUPAC(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1)NNc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c16-13-7-9-14(10-8-13)17-18-15(19)11-6-12-4-2-1-3-5-12/h1-11,17H,(H,18,19)/b11-6+
InChIKeyMCKPRJFTTCSNAQ-IZZDOVSWSA-N
MW272.74 g/mol
LogP3.50
Rot. Bonds4

About (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide

(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide (PubChem CID 2517818) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
PubChem CID2517818
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1)NNc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c16-13-7-9-14(10-8-13)17-18-15(19)11-6-12-4-2-1-3-5-12/h1-11,17H,(H,18,19)/b11-6+
InChIKeyMCKPRJFTTCSNAQ-IZZDOVSWSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzoic acid, 4-chloro-, 2-phenylhydrazide
CID 27023
Benzoic acid, 2-(p-chlorophenyl)hydrazide
CID 28566
Benzoic acid, p-chloro-, 2-(p-chlorophenyl)hydrazide
CID 37486
2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
CID 2812570
N'-(4-chlorophenyl)-4-ethylbenzohydrazide
CID 2812572
Benzoic acid, 2-(3,4-dichlorophenyl)hydrazide
CID 25730
N'-(4-chloro-2-methylphenyl)-3-phenylpropanohydrazide
CID 2811341
Pyrazole-4,5(1H)-dione, 3-phenyl-, 4-(4-chlorophenylhydrazone)
CID 626873
2-chloro-N'-phenylbenzohydrazide
CID 347064
2-chloro-6-fluoro-N'-(2-fluorophenyl)benzohydrazide
CID 2812143
4-[(4-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3765151
4-Chloro-benzoic acid N''-p-tolyl-hydrazide
CID 9816662

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide (CID 2517818) is (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide is O=C(/C=C/c1ccccc1)NNc1ccc(Cl)cc1.
What is the InChIKey of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide?
The InChIKey is MCKPRJFTTCSNAQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-7-9-14(10-8-13)17-18-15(19)11-6-12-4-2-1-3-5-12/h1-11,17H,(H,18,19)/b11-6+.
What are the key properties of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide?
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide has a molecular weight of 272.74 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 2517818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).