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

C15H12INO3 — CID 62535711

IUPAC2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C15H12INO3/c16-12-7-3-2-6-11(12)15(20)17-13-8-4-1-5-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyMEWWYTOPAQOPMH-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.17
Rot. Bonds4

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

2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid (PubChem CID 62535711) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
PubChem CID62535711
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C15H12INO3/c16-12-7-3-2-6-11(12)15(20)17-13-8-4-1-5-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyMEWWYTOPAQOPMH-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-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid (CID 62535711) is 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid?
The InChIKey is MEWWYTOPAQOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c16-12-7-3-2-6-11(12)15(20)17-13-8-4-1-5-10(13)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid?
2-[2-[(2-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-[(2-iodobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62535711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).