2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid

C19H16N2O2 — CID 5378627

IUPAC2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccccc1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-18-9-5-4-8-17(18)19(22)23/h2-12,21H,1H3,(H,22,23)/b20-13-
InChIKeySDNXZLXPOKPMIK-MOSHPQCFSA-N
MW304.35 g/mol
LogP4.37
Rot. Bonds4

About 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid

2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid (PubChem CID 5378627) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
PubChem CID5378627
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccccc1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-18-9-5-4-8-17(18)19(22)23/h2-12,21H,1H3,(H,22,23)/b20-13-
InChIKeySDNXZLXPOKPMIK-MOSHPQCFSA-N
XLogP4.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'hzone_naphth_A(5)', '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

2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95976036
2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 45327860
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 154810516
2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4238759
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid (CID 5378627) is 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid is C/C(=N/Nc1ccccc1C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid?
The InChIKey is SDNXZLXPOKPMIK-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-18-9-5-4-8-17(18)19(22)23/h2-12,21H,1H3,(H,22,23)/b20-13-.
What are the key properties of 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid?
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 5378627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).