2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid

C14H11ClFNO2 — CID 70526996

IUPAC2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cc(Cl)cc1-c1ccccc1F
InChIInChI=1S/C14H11ClFNO2/c15-9-5-8(6-13(18)19)14(17)11(7-9)10-3-1-2-4-12(10)16/h1-5,7H,6,17H2,(H,18,19)
InChIKeyVABCSOFLXIIKRV-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid

2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid (PubChem CID 70526996) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid
PubChem CID70526996
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cc(Cl)cc1-c1ccccc1F
InChIInChI=1S/C14H11ClFNO2/c15-9-5-8(6-13(18)19)14(17)11(7-9)10-3-1-2-4-12(10)16/h1-5,7H,6,17H2,(H,18,19)
InChIKeyVABCSOFLXIIKRV-UHFFFAOYSA-N
XLogP3.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid (CID 70526996) is 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid is Nc1c(CC(=O)O)cc(Cl)cc1-c1ccccc1F.
What is the InChIKey of 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid?
The InChIKey is VABCSOFLXIIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-9-5-8(6-13(18)19)14(17)11(7-9)10-3-1-2-4-12(10)16/h1-5,7H,6,17H2,(H,18,19).
What are the key properties of 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid?
2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid has a molecular weight of 279.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid is sourced from PubChem (CID 70526996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).