methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate

C15H13FN2O3 — CID 61117353

IUPACmethyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-8-10(17)4-7-13(12)16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyXXYCUJRKYKALHA-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.45
Rot. Bonds3

About methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate

methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate (PubChem CID 61117353) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
PubChem CID61117353
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-8-10(17)4-7-13(12)16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyXXYCUJRKYKALHA-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'}

Analyze methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
CID 107074324
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 61102410
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012
5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62902582
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate (CID 61117353) is methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(N)ccc2F)cc1.
What is the InChIKey of methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate?
The InChIKey is XXYCUJRKYKALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-8-10(17)4-7-13(12)16/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate?
methyl 4-[(5-amino-2-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 4-[(5-amino-2-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 61117353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).