methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate

C15H11FINO3 — CID 60787444

IUPACmethyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H11FINO3/c1-21-15(20)12-7-4-10(16)8-13(12)18-14(19)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,18,19)
InChIKeyALYFXOKQZPCENS-UHFFFAOYSA-N
MW399.16 g/mol
LogP3.47
Rot. Bonds3

About methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate

methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate (PubChem CID 60787444) has the molecular formula C15H11FINO3 and a molecular weight of 399.16 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
PubChem CID60787444
Molecular FormulaC15H11FINO3
Molecular Weight399.16 g/mol
Exact Mass398.98
IUPAC Namemethyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H11FINO3/c1-21-15(20)12-7-4-10(16)8-13(12)18-14(19)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,18,19)
InChIKeyALYFXOKQZPCENS-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 53.47
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 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
methyl 5-fluoro-2-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78948985
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
methyl 4-fluoro-2-(1,2,2-tricyanoethenylamino)benzoate
CID 168606547

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate (CID 60787444) is methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate is COC(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate?
The InChIKey is ALYFXOKQZPCENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO3/c1-21-15(20)12-7-4-10(16)8-13(12)18-14(19)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate?
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate has a molecular weight of 399.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate is sourced from PubChem (CID 60787444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).