methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate

C15H13FN2O3 — CID 63109743

IUPACmethyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H13FN2O3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(16)8-12(10)17/h2-8H,17H2,1H3,(H,18,19)
InChIKeyGKVBKKGTQCEPAU-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.45
Rot. Bonds3

About methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate

methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate (PubChem CID 63109743) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
PubChem CID63109743
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H13FN2O3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(16)8-12(10)17/h2-8H,17H2,1H3,(H,18,19)
InChIKeyGKVBKKGTQCEPAU-UHFFFAOYSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate (CID 63109743) is methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1N.
What is the InChIKey of methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate?
The InChIKey is GKVBKKGTQCEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(16)8-12(10)17/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate?
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate has a molecular weight of 288.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 63109743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).