methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate

C16H14INO3 — CID 38886727

IUPACmethyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C16H14INO3/c1-10-4-3-5-13(14(10)17)15(19)18-12-8-6-11(7-9-12)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyMUKMAELZCUHTEU-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.64
Rot. Bonds3

About methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate

methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate (PubChem CID 38886727) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
PubChem CID38886727
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Namemethyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C16H14INO3/c1-10-4-3-5-13(14(10)17)15(19)18-12-8-6-11(7-9-12)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyMUKMAELZCUHTEU-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 55690697
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
N-(4-bromo-3-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103719026
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate (CID 38886727) is methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(C)c2I)cc1.
What is the InChIKey of methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate?
The InChIKey is MUKMAELZCUHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c1-10-4-3-5-13(14(10)17)15(19)18-12-8-6-11(7-9-12)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate?
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate has a molecular weight of 395.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 38886727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).