2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid

C16H15N3O3 — CID 70209280

IUPAC2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid
SMILESNN=Cc1cccc(C(=O)Nc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C16H15N3O3/c17-18-10-12-4-1-5-13(7-12)16(22)19-14-6-2-3-11(8-14)9-15(20)21/h1-8,10H,9,17H2,(H,19,22)(H,20,21)
InChIKeyXPHXFXBAQZJHBF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.86
Rot. Bonds5

About 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid

2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid (PubChem CID 70209280) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid
PubChem CID70209280
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid
SMILESNN=Cc1cccc(C(=O)Nc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C16H15N3O3/c17-18-10-12-4-1-5-13(7-12)16(22)19-14-6-2-3-11(8-14)9-15(20)21/h1-8,10H,9,17H2,(H,19,22)(H,20,21)
InChIKeyXPHXFXBAQZJHBF-UHFFFAOYSA-N
XLogP1.86
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic 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

2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
CID 70062661
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid (CID 70209280) is 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid is NN=Cc1cccc(C(=O)Nc2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid?
The InChIKey is XPHXFXBAQZJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-18-10-12-4-1-5-13(7-12)16(22)19-14-6-2-3-11(8-14)9-15(20)21/h1-8,10H,9,17H2,(H,19,22)(H,20,21).
What are the key properties of 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid?
2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 70209280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).