3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C24H18N2O4 — CID 1104271

IUPAC3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C24H18N2O4/c27-23(14-17-7-3-6-16-5-1-2-10-21(16)17)26-25-15-20-11-12-22(30-20)18-8-4-9-19(13-18)24(28)29/h1-13,15H,14H2,(H,26,27)(H,28,29)
InChIKeyVCSFIXAKTKACBL-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.49
Rot. Bonds6

About 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 1104271) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID1104271
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C24H18N2O4/c27-23(14-17-7-3-6-16-5-1-2-10-21(16)17)26-25-15-20-11-12-22(30-20)18-8-4-9-19(13-18)24(28)29/h1-13,15H,14H2,(H,26,27)(H,28,29)
InChIKeyVCSFIXAKTKACBL-UHFFFAOYSA-N
XLogP4.49
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]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

3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6302659
3-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368944
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 6321807
ethyl 2-chloro-5-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126265441
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
3-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 93478300
3-[5-[(E)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5349799
3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
2-(4-bromonaphthalen-1-yl)-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3520761
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 1104271) is 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(Cc1cccc2ccccc12)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1.
What is the InChIKey of 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is VCSFIXAKTKACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-23(14-17-7-3-6-16-5-1-2-10-21(16)17)26-25-15-20-11-12-22(30-20)18-8-4-9-19(13-18)24(28)29/h1-13,15H,14H2,(H,26,27)(H,28,29).
What are the key properties of 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 398.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 1104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).