2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid

C17H15F2NO3 — CID 23154746

IUPAC2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccc(F)cc1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c1-11(21)20-17(16(22)23,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyAIMFBMJPTZBBSX-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.62
Rot. Bonds5

About 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid

2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid (PubChem CID 23154746) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid
PubChem CID23154746
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccc(F)cc1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c1-11(21)20-17(16(22)23,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyAIMFBMJPTZBBSX-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114899520
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N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
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2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
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2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
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3-bromo-4-(4-fluorophenyl)butan-2-one
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1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
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CID 174940474

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid (CID 23154746) is 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid is CC(=O)NC(Cc1ccc(F)cc1)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid?
The InChIKey is AIMFBMJPTZBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-11(21)20-17(16(22)23,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid?
2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid has a molecular weight of 319.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 23154746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).