2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid

C15H11BrINO3 — CID 63405749

IUPAC2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C15H11BrINO3/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySUBAQSXOGIHTBE-UHFFFAOYSA-N
MW460.07 g/mol
LogP4.31
Rot. Bonds3

About 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid

2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid (PubChem CID 63405749) has the molecular formula C15H11BrINO3 and a molecular weight of 460.07 g/mol. Its IUPAC name is 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
PubChem CID63405749
Molecular FormulaC15H11BrINO3
Molecular Weight460.07 g/mol
Exact Mass458.90
IUPAC Name2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C15H11BrINO3/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySUBAQSXOGIHTBE-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.07
LogP ≤ 54.31
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-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid (CID 63405749) is 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid is Cc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1C(=O)O.
What is the InChIKey of 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid?
The InChIKey is SUBAQSXOGIHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrINO3/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid?
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid has a molecular weight of 460.07 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 63405749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).