methyl 4-[(4-fluorophenyl)carbamoyl]benzoate

C15H12FNO3 — CID 7733132

IUPACmethyl 4-[(4-fluorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-4-2-10(3-5-11)14(18)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,18)
InChIKeyVHFORCRSHMBDON-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.86
Rot. Bonds3

About methyl 4-[(4-fluorophenyl)carbamoyl]benzoate

methyl 4-[(4-fluorophenyl)carbamoyl]benzoate (PubChem CID 7733132) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)carbamoyl]benzoate
PubChem CID7733132
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namemethyl 4-[(4-fluorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-4-2-10(3-5-11)14(18)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,18)
InChIKeyVHFORCRSHMBDON-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(4-fluorophenyl)carbamoyl]benzoate (CID 7733132) is methyl 4-[(4-fluorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[(4-fluorophenyl)carbamoyl]benzoate?
The InChIKey is VHFORCRSHMBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-20-15(19)11-4-2-10(3-5-11)14(18)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,18).
What are the key properties of methyl 4-[(4-fluorophenyl)carbamoyl]benzoate?
methyl 4-[(4-fluorophenyl)carbamoyl]benzoate has a molecular weight of 273.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 7733132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).