2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide

C14H11BrN4O3 — CID 2771528

IUPAC2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
SMILESO=C(Nc1ccccc1)C(Br)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11BrN4O3/c15-13(14(20)16-10-4-2-1-3-5-10)18-17-11-6-8-12(9-7-11)19(21)22/h1-9,17H,(H,16,20)
InChIKeyQYCDUIDTGPXYGM-UHFFFAOYSA-N
MW363.17 g/mol
LogP3.35
Rot. Bonds5

About 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide

2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide (PubChem CID 2771528) has the molecular formula C14H11BrN4O3 and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide.

Molecular Properties

Compound Name2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
PubChem CID2771528
Molecular FormulaC14H11BrN4O3
Molecular Weight363.17 g/mol
Exact Mass362.00
IUPAC Name2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
SMILESO=C(Nc1ccccc1)C(Br)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11BrN4O3/c15-13(14(20)16-10-4-2-1-3-5-10)18-17-11-6-8-12(9-7-11)19(21)22/h1-9,17H,(H,16,20)
InChIKeyQYCDUIDTGPXYGM-UHFFFAOYSA-N
XLogP3.35
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
CID 135510390
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide?
The IUPAC name of 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide (CID 2771528) is 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide.
What is the SMILES notation for 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide?
The canonical SMILES for 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide is O=C(Nc1ccccc1)C(Br)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide?
The InChIKey is QYCDUIDTGPXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3/c15-13(14(20)16-10-4-2-1-3-5-10)18-17-11-6-8-12(9-7-11)19(21)22/h1-9,17H,(H,16,20).
What are the key properties of 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide?
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide has a molecular weight of 363.17 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide is sourced from PubChem (CID 2771528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).