methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate

C16H14FNO3 — CID 115659778

IUPACmethyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C16H14FNO3/c1-10-7-11(9-12(17)8-10)15(19)18-14-6-4-3-5-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyBJZAQAPKXRKUAG-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.17
Rot. Bonds3

About methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate

methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate (PubChem CID 115659778) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
PubChem CID115659778
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C16H14FNO3/c1-10-7-11(9-12(17)8-10)15(19)18-14-6-4-3-5-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyBJZAQAPKXRKUAG-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate (CID 115659778) is methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate?
The InChIKey is BJZAQAPKXRKUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-7-11(9-12(17)8-10)15(19)18-14-6-4-3-5-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate?
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate has a molecular weight of 287.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 115659778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).