4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid

C19H15N3O6 — CID 175002845

IUPAC4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(CNNC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C19H15N3O6/c23-18(13-5-7-15(8-6-13)22(26)27)21-20-11-16-9-10-17(28-16)12-1-3-14(4-2-12)19(24)25/h1-10,20H,11H2,(H,21,23)(H,24,25)
InChIKeyAIBUSKJKHQGTKV-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.99
Rot. Bonds7

About 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid

4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid (PubChem CID 175002845) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid
PubChem CID175002845
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(CNNC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C19H15N3O6/c23-18(13-5-7-15(8-6-13)22(26)27)21-20-11-16-9-10-17(28-16)12-1-3-14(4-2-12)19(24)25/h1-10,20H,11H2,(H,21,23)(H,24,25)
InChIKeyAIBUSKJKHQGTKV-UHFFFAOYSA-N
XLogP2.99
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]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

4-[5-[[2-(4-nitroanilino)ethylamino]methyl]furan-2-yl]benzoic acid
CID 17056083
4-[5-(methylaminomethyl)furan-2-yl]benzoic acid
CID 17056061
4-[5-[[2-(2-chloro-4-nitroanilino)ethylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056084
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
[5-(4-nitrophenyl)furan-2-yl]methyl 2-chloroacetate
CID 4207881
4-methyl-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956234
4-methyl-2-[[[5-(4-nitrophenyl)furan-2-yl]methylamino]methyl]pentanoic acid
CID 122072992
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
cesium;hydride;4-nitrobenzoic acid
CID 174438488
4-[5-[[3-(methylamino)propylamino]methyl]furan-2-yl]benzoic acid
CID 17056120
4-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056129
4-nitrobenzoic acid;trimethylsilane
CID 175438853

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid (CID 175002845) is 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid is O=C(O)c1ccc(-c2ccc(CNNC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid?
The InChIKey is AIBUSKJKHQGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-18(13-5-7-15(8-6-13)22(26)27)21-20-11-16-9-10-17(28-16)12-1-3-14(4-2-12)19(24)25/h1-10,20H,11H2,(H,21,23)(H,24,25).
What are the key properties of 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid?
4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid has a molecular weight of 381.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(4-nitrobenzoyl)hydrazinyl]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 175002845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).