2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid

C15H11FINO3 — CID 81480850

IUPAC2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1F
InChIInChI=1S/C15H11FINO3/c1-8-3-2-4-10(13(8)16)14(19)18-12-6-5-9(17)7-11(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHABLNDNZSDLQIL-UHFFFAOYSA-N
MW399.16 g/mol
LogP3.69
Rot. Bonds3

About 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid

2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid (PubChem CID 81480850) has the molecular formula C15H11FINO3 and a molecular weight of 399.16 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
PubChem CID81480850
Molecular FormulaC15H11FINO3
Molecular Weight399.16 g/mol
Exact Mass398.98
IUPAC Name2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1F
InChIInChI=1S/C15H11FINO3/c1-8-3-2-4-10(13(8)16)14(19)18-12-6-5-9(17)7-11(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHABLNDNZSDLQIL-UHFFFAOYSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic 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-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid (CID 81480850) is 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid is Cc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The InChIKey is HABLNDNZSDLQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO3/c1-8-3-2-4-10(13(8)16)14(19)18-12-6-5-9(17)7-11(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid?
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid has a molecular weight of 399.16 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 81480850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).