(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride

C8H8ClN3O2 — CID 6518748

IUPAC(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
SMILESC/C(Cl)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8ClN3O2/c1-6(9)10-11-7-2-4-8(5-3-7)12(13)14/h2-5,11H,1H3/b10-6+
InChIKeyCFIKOWBSAOYPIS-UXBLZVDNSA-N
MW213.62 g/mol
LogP2.58
Rot. Bonds3

About (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride

(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride (PubChem CID 6518748) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
PubChem CID6518748
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
SMILESC/C(Cl)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8ClN3O2/c1-6(9)10-11-7-2-4-8(5-3-7)12(13)14/h2-5,11H,1H3/b10-6+
InChIKeyCFIKOWBSAOYPIS-UXBLZVDNSA-N
XLogP2.58
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
(1Z)-4-nitro-N-(4-nitroanilino)benzenecarboximidoyl cyanide
CID 12706509
(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
CID 15681749

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride?
The IUPAC name of (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride (CID 6518748) is (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride.
What is the SMILES notation for (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride?
The canonical SMILES for (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride is C/C(Cl)=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride?
The InChIKey is CFIKOWBSAOYPIS-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-6(9)10-11-7-2-4-8(5-3-7)12(13)14/h2-5,11H,1H3/b10-6+.
What are the key properties of (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride?
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride has a molecular weight of 213.62 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride is sourced from PubChem (CID 6518748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).