4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid

C19H14N2O3 — CID 52915757

IUPAC4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H14N2O3/c22-18(17-10-9-14-3-1-2-4-16(14)11-17)21-20-12-13-5-7-15(8-6-13)19(23)24/h1-12H,(H,21,22)(H,23,24)/b20-12+
InChIKeyATERQKXYCBXUOY-UDWIEESQSA-N
MW318.33 g/mol
LogP3.30
Rot. Bonds4

About 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid

4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid (PubChem CID 52915757) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid
PubChem CID52915757
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H14N2O3/c22-18(17-10-9-14-3-1-2-4-16(14)11-17)21-20-12-13-5-7-15(8-6-13)19(23)24/h1-12H,(H,21,22)(H,23,24)/b20-12+
InChIKeyATERQKXYCBXUOY-UDWIEESQSA-N
XLogP3.30
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid (CID 52915757) is 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is ATERQKXYCBXUOY-UDWIEESQSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18(17-10-9-14-3-1-2-4-16(14)11-17)21-20-12-13-5-7-15(8-6-13)19(23)24/h1-12H,(H,21,22)(H,23,24)/b20-12+.
What are the key properties of 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid?
4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(naphthalene-2-carbonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 52915757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).