3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid

C17H15ClFNO3 — CID 2980416

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c18-13-5-1-11(2-6-13)9-16(21)20-15(10-17(22)23)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2,(H,20,21)(H,22,23)
InChIKeyHAQMYIJEXSFJRM-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.35
Rot. Bonds6

About 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid

3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 2980416) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID2980416
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c18-13-5-1-11(2-6-13)9-16(21)20-15(10-17(22)23)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2,(H,20,21)(H,22,23)
InChIKeyHAQMYIJEXSFJRM-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid (CID 2980416) is 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid is O=C(O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is HAQMYIJEXSFJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c18-13-5-1-11(2-6-13)9-16(21)20-15(10-17(22)23)12-3-7-14(19)8-4-12/h1-8,15H,9-10H2,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 335.76 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 2980416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).