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

C15H12INO3 — CID 62535527

IUPAC2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H12INO3/c16-12-6-3-5-11(8-12)15(20)17-13-7-2-1-4-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGPINWFUPTVPXLF-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.17
Rot. Bonds4

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

2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid (PubChem CID 62535527) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
PubChem CID62535527
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H12INO3/c16-12-6-3-5-11(8-12)15(20)17-13-7-2-1-4-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGPINWFUPTVPXLF-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[2-[(3-iodobenzoyl)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-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
N-[2-(sulfanylmethyl)phenyl]benzamide
CID 173232561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid (CID 62535527) is 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(I)c1.
What is the InChIKey of 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The InChIKey is GPINWFUPTVPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c16-12-6-3-5-11(8-12)15(20)17-13-7-2-1-4-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid?
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid has a molecular weight of 381.17 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62535527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).