4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid

C15H15N3O2 — CID 9013147

IUPAC4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(C(=O)O)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O2/c1-10(12-3-2-4-13(16)9-12)17-18-14-7-5-11(6-8-14)15(19)20/h2-9,18H,16H2,1H3,(H,19,20)/b17-10-
InChIKeyIHCXAMGAQLPAGO-YVLHZVERSA-N
MW269.30 g/mol
LogP2.80
Rot. Bonds4

About 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 9013147) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID9013147
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(C(=O)O)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O2/c1-10(12-3-2-4-13(16)9-12)17-18-14-7-5-11(6-8-14)15(19)20/h2-9,18H,16H2,1H3,(H,19,20)/b17-10-
InChIKeyIHCXAMGAQLPAGO-YVLHZVERSA-N
XLogP2.80
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2Z)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6083934
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 18282586
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 135893773
4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3597216
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
4-[(E)-N-(3-carboxyanilino)-C-methylcarbonimidoyl]phenolate
CID 135775244
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
4-[(2Z)-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylidene]hydrazinyl]benzoic acid
CID 75460452

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid (CID 9013147) is 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N/Nc1ccc(C(=O)O)cc1)c1cccc(N)c1.
What is the InChIKey of 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is IHCXAMGAQLPAGO-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(12-3-2-4-13(16)9-12)17-18-14-7-5-11(6-8-14)15(19)20/h2-9,18H,16H2,1H3,(H,19,20)/b17-10-.
What are the key properties of 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 9013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).