4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid

C21H24N2O2 — CID 3435837

IUPAC4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(22-23-20-13-11-19(12-14-20)21(24)25)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17,23H,2-6H2,1H3,(H,24,25)
InChIKeyLPCVPJOLWGARSZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.27
Rot. Bonds5

About 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid

4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 3435837) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID3435837
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(22-23-20-13-11-19(12-14-20)21(24)25)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17,23H,2-6H2,1H3,(H,24,25)
InChIKeyLPCVPJOLWGARSZ-UHFFFAOYSA-N
XLogP5.27
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.27
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'}

Analyze 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
CID 3385757
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
CID 4067906
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126057800
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
4-[(2Z)-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylidene]hydrazinyl]benzoic acid
CID 75460452
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid (CID 3435837) is 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid is CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is LPCVPJOLWGARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(22-23-20-13-11-19(12-14-20)21(24)25)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17,23H,2-6H2,1H3,(H,24,25).
What are the key properties of 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid?
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 336.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 3435837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).