methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate

C16H14FNO3 — CID 3249566

IUPACmethyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-18(15(19)11-7-3-5-9-13(11)17)14-10-6-4-8-12(14)16(20)21-2/h3-10H,1-2H3
InChIKeyRCRUPCUUWSOLAG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate

methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate (PubChem CID 3249566) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
PubChem CID3249566
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-18(15(19)11-7-3-5-9-13(11)17)14-10-6-4-8-12(14)16(20)21-2/h3-10H,1-2H3
InChIKeyRCRUPCUUWSOLAG-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423135
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate
CID 18582561
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate?
The IUPAC name of methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate (CID 3249566) is methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate?
The canonical SMILES for methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate?
The InChIKey is RCRUPCUUWSOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-18(15(19)11-7-3-5-9-13(11)17)14-10-6-4-8-12(14)16(20)21-2/h3-10H,1-2H3.
What are the key properties of methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate?
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate has a molecular weight of 287.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate is sourced from PubChem (CID 3249566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).