2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

C15H12ClN4O4- — CID 7073727

IUPAC2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C15H13ClN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/p-1/b18-8-
InChIKeyUZEOHGKNLWNEGG-LSCVHKIXSA-M
MW347.74 g/mol
LogP1.88
Rot. Bonds6

About 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 7073727) has the molecular formula C15H12ClN4O4- and a molecular weight of 347.74 g/mol. Its IUPAC name is 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID7073727
Molecular FormulaC15H12ClN4O4-
Molecular Weight347.74 g/mol
Exact Mass347.06
IUPAC Name2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C15H13ClN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/p-1/b18-8-
InChIKeyUZEOHGKNLWNEGG-LSCVHKIXSA-M
XLogP1.88
TPSA119.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(E)-[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7290533
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2-[[[4-(4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6998777
2-(4-bromoanilino)-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137149865
2-(4-chloroanilino)-N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126371268
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(3,4-dimethylanilino)-N-[(E)-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide
CID 126117747
2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7311322
4-nitro-2-[[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenolate
CID 6998834

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate (CID 7073727) is 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is O=C(CNc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-].
What is the InChIKey of 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is UZEOHGKNLWNEGG-LSCVHKIXSA-M. The full InChI is InChI=1S/C15H13ClN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/p-1/b18-8-.
What are the key properties of 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate?
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate has a molecular weight of 347.74 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 7073727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).