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

C15H12INO3 — CID 65346308

IUPAC2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H12INO3/c16-12-5-2-4-11(9-12)15(20)17-13-6-1-3-10(7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyNNDYLMUBNHQWGG-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.17
Rot. Bonds4

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

2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid (PubChem CID 65346308) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
PubChem CID65346308
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H12INO3/c16-12-5-2-4-11(9-12)15(20)17-13-6-1-3-10(7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyNNDYLMUBNHQWGG-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'}

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Related Compounds

N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
2-[3-[(3-methanehydrazonoylbenzoyl)amino]phenyl]acetic acid
CID 70209280
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
CID 103803781
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid (CID 65346308) is 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid?
The InChIKey is NNDYLMUBNHQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c16-12-5-2-4-11(9-12)15(20)17-13-6-1-3-10(7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid?
2-[3-[(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-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65346308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).