[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate

C19H18FNO4 — CID 2913195

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-10,17H,11-12H2,1H3,(H,21,22)
InChIKeyCAYJCHBHPRYMQX-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.30
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate (PubChem CID 2913195) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
PubChem CID2913195
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-10,17H,11-12H2,1H3,(H,21,22)
InChIKeyCAYJCHBHPRYMQX-UHFFFAOYSA-N
XLogP2.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 7371261
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
[2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 126007466
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 43030429
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate (CID 2913195) is [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate is CC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate?
The InChIKey is CAYJCHBHPRYMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-10,17H,11-12H2,1H3,(H,21,22).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate has a molecular weight of 343.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 2913195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).