methyl 4-[(3-fluorophenyl)carbamoyl]benzoate

C15H12FNO3 — CID 9412634

IUPACmethyl 4-[(3-fluorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(16)9-13/h2-9H,1H3,(H,17,18)
InChIKeyLHIXIMFTZIOTTD-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.86
Rot. Bonds3

About methyl 4-[(3-fluorophenyl)carbamoyl]benzoate

methyl 4-[(3-fluorophenyl)carbamoyl]benzoate (PubChem CID 9412634) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 4-[(3-fluorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-fluorophenyl)carbamoyl]benzoate
PubChem CID9412634
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namemethyl 4-[(3-fluorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(16)9-13/h2-9H,1H3,(H,17,18)
InChIKeyLHIXIMFTZIOTTD-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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Related Compounds

methyl 4-(3-fluoroanilino)benzoate
CID 67974249
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
[2-(3-fluoroanilino)-2-oxoethyl]-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9250680
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-fluorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(3-fluorophenyl)carbamoyl]benzoate (CID 9412634) is methyl 4-[(3-fluorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-fluorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-fluorophenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-[(3-fluorophenyl)carbamoyl]benzoate?
The InChIKey is LHIXIMFTZIOTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-20-15(19)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(16)9-13/h2-9H,1H3,(H,17,18).
What are the key properties of methyl 4-[(3-fluorophenyl)carbamoyl]benzoate?
methyl 4-[(3-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-[(3-fluorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 9412634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).