methyl 2-[(3-iodobenzoyl)amino]benzoate

C15H12INO3 — CID 1019242

IUPACmethyl 2-[(3-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H12INO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18)
InChIKeyBUFDQRDPGJVADZ-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.33
Rot. Bonds3

About methyl 2-[(3-iodobenzoyl)amino]benzoate

methyl 2-[(3-iodobenzoyl)amino]benzoate (PubChem CID 1019242) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is methyl 2-[(3-iodobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-iodobenzoyl)amino]benzoate
PubChem CID1019242
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Namemethyl 2-[(3-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H12INO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18)
InChIKeyBUFDQRDPGJVADZ-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.33
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

2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
methyl 2-[[3-(3-phenylpropanoylamino)benzoyl]amino]benzoate
CID 17172094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-iodobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-iodobenzoyl)amino]benzoate (CID 1019242) is methyl 2-[(3-iodobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-iodobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-iodobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(I)c1.
What is the InChIKey of methyl 2-[(3-iodobenzoyl)amino]benzoate?
The InChIKey is BUFDQRDPGJVADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18).
What are the key properties of methyl 2-[(3-iodobenzoyl)amino]benzoate?
methyl 2-[(3-iodobenzoyl)amino]benzoate has a molecular weight of 381.17 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-iodobenzoyl)amino]benzoate is sourced from PubChem (CID 1019242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).