2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid

C14H11ClFNO2 — CID 103237920

IUPAC2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO2/c15-10-6-7-11(16)12(8-10)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyFKATUKJJQDFPBN-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.72
Rot. Bonds4

About 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid

2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid (PubChem CID 103237920) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
PubChem CID103237920
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO2/c15-10-6-7-11(16)12(8-10)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyFKATUKJJQDFPBN-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
CID 103249643
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
2-(2-chloroanilino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453647
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid?
The IUPAC name of 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid (CID 103237920) is 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid is O=C(O)C(Nc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid?
The InChIKey is FKATUKJJQDFPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-10-6-7-11(16)12(8-10)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid?
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid has a molecular weight of 279.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid is sourced from PubChem (CID 103237920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).