2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid

C15H13ClFNO2 — CID 60991913

IUPAC2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,18-11-5-3-2-4-6-11)10-7-8-13(17)12(16)9-10/h2-9,18H,1H3,(H,19,20)
InChIKeyWXZRNWPDRCEBSV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds4

About 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid

2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid (PubChem CID 60991913) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
PubChem CID60991913
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,18-11-5-3-2-4-6-11)10-7-8-13(17)12(16)9-10/h2-9,18H,1H3,(H,19,20)
InChIKeyWXZRNWPDRCEBSV-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The IUPAC name of 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid (CID 60991913) is 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid is CC(Nc1ccccc1)(C(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The InChIKey is WXZRNWPDRCEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-15(14(19)20,18-11-5-3-2-4-6-11)10-7-8-13(17)12(16)9-10/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid?
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid has a molecular weight of 293.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid is sourced from PubChem (CID 60991913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).