2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid

C16H14INO3 — CID 63112144

IUPAC2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccccc2I)c(C(=O)O)c1
InChIInChI=1S/C16H14INO3/c1-9-7-10(2)14(12(8-9)16(20)21)18-15(19)11-5-3-4-6-13(11)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNWRHHOBWUIJWIX-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.86
Rot. Bonds3

About 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid

2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid (PubChem CID 63112144) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
PubChem CID63112144
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Name2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccccc2I)c(C(=O)O)c1
InChIInChI=1S/C16H14INO3/c1-9-7-10(2)14(12(8-9)16(20)21)18-15(19)11-5-3-4-6-13(11)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNWRHHOBWUIJWIX-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.86
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

2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
2-hydrazinyl-N-(2,4,6-trimethylphenyl)benzamide
CID 62235197
5-[[3-carboxy-4-[(2-iodobenzoyl)amino]phenyl]methyl]-2-[(2-iodobenzoyl)amino]benzoic acid
CID 3118187
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid (CID 63112144) is 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid is Cc1cc(C)c(NC(=O)c2ccccc2I)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid?
The InChIKey is NWRHHOBWUIJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c1-9-7-10(2)14(12(8-9)16(20)21)18-15(19)11-5-3-4-6-13(11)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid?
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid has a molecular weight of 395.20 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 63112144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).