3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

C20H15F2NO3 — CID 46884010

IUPAC3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1cccc(F)c1F)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F2NO3/c21-16-7-3-6-14(18(16)22)11-17(20(25)26)23-19(24)15-9-8-12-4-1-2-5-13(12)10-15/h1-10,17H,11H2,(H,23,24)(H,25,26)
InChIKeyHHCGNWGXRNKCRI-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.54
Rot. Bonds5

About 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 46884010) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID46884010
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1cccc(F)c1F)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F2NO3/c21-16-7-3-6-14(18(16)22)11-17(20(25)26)23-19(24)15-9-8-12-4-1-2-5-13(12)10-15/h1-10,17H,11H2,(H,23,24)(H,25,26)
InChIKeyHHCGNWGXRNKCRI-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (CID 46884010) is 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is O=C(NC(Cc1cccc(F)c1F)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is HHCGNWGXRNKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c21-16-7-3-6-14(18(16)22)11-17(20(25)26)23-19(24)15-9-8-12-4-1-2-5-13(12)10-15/h1-10,17H,11H2,(H,23,24)(H,25,26).
What are the key properties of 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 355.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 46884010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).