methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate

C16H14FNO3 — CID 26522804

IUPACmethyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C16H14FNO3/c1-10-3-8-14(13(17)9-10)18-15(19)11-4-6-12(7-5-11)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyJGOHKCRJTIKPDV-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.17
Rot. Bonds3

About methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate

methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate (PubChem CID 26522804) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
PubChem CID26522804
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C16H14FNO3/c1-10-3-8-14(13(17)9-10)18-15(19)11-4-6-12(7-5-11)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyJGOHKCRJTIKPDV-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

4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
methyl 4-[(2-fluoro-4-methylanilino)methyl]benzoate
CID 28879318
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 26522911
N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26702654

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate (CID 26522804) is methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate?
The InChIKey is JGOHKCRJTIKPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-3-8-14(13(17)9-10)18-15(19)11-4-6-12(7-5-11)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate?
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]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 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 26522804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).