[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate

C24H20FNO4 — CID 18102660

IUPAC[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCC(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-16(22(27)17-12-14-18(25)15-13-17)30-24(29)21-11-7-6-10-20(21)23(28)26(2)19-8-4-3-5-9-19/h3-16H,1-2H3
InChIKeyQTYICXYDDIVAJD-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.53
Rot. Bonds6

About [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 18102660) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID18102660
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCC(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-16(22(27)17-12-14-18(25)15-13-17)30-24(29)21-11-7-6-10-20(21)23(28)26(2)19-8-4-3-5-9-19/h3-16H,1-2H3
InChIKeyQTYICXYDDIVAJD-UHFFFAOYSA-N
XLogP4.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738779
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 8531734
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740719
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
(1-oxo-1-phenylpropan-2-yl) 2-bromo-5-fluorobenzoate
CID 55404957
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 40728613
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7815167
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605429
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7605624

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 18102660) is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate is CC(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is QTYICXYDDIVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-16(22(27)17-12-14-18(25)15-13-17)30-24(29)21-11-7-6-10-20(21)23(28)26(2)19-8-4-3-5-9-19/h3-16H,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate?
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 405.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 18102660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).