(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride

C14H13ClN4 — CID 134879796

IUPAC(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
SMILESClC(/C=N/Nc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C14H13ClN4/c15-14(19-18-13-9-5-2-6-10-13)11-16-17-12-7-3-1-4-8-12/h1-11,17-18H/b16-11+,19-14+
InChIKeyUBPSUIYOQSJXAB-SRGIJIBBSA-N
MW272.74 g/mol
LogP3.75
Rot. Bonds5

About (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride

(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride (PubChem CID 134879796) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
PubChem CID134879796
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
SMILESClC(/C=N/Nc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C14H13ClN4/c15-14(19-18-13-9-5-2-6-10-13)11-16-17-12-7-3-1-4-8-12/h1-11,17-18H/b16-11+,19-14+
InChIKeyUBPSUIYOQSJXAB-SRGIJIBBSA-N
XLogP3.75
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
CID 72710757
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
CID 170858139
(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
CID 137266431
N-(2,2,2-trichloroethylideneamino)aniline
CID 70632285
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271

Frequently Asked Questions

What is the IUPAC name of (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride?
The IUPAC name of (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride (CID 134879796) is (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride.
What is the SMILES notation for (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride?
The canonical SMILES for (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride is ClC(/C=N/Nc1ccccc1)=N/Nc1ccccc1.
What is the InChIKey of (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride?
The InChIKey is UBPSUIYOQSJXAB-SRGIJIBBSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-14(19-18-13-9-5-2-6-10-13)11-16-17-12-7-3-1-4-8-12/h1-11,17-18H/b16-11+,19-14+.
What are the key properties of (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride?
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride has a molecular weight of 272.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride is sourced from PubChem (CID 134879796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).