2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid

C15H14FNO2 — CID 82300980

IUPAC2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
SMILESCc1ccccc1Nc1ccc(CC(=O)O)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(8-12(14)16)9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAYOPSAKFGWGEJK-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid

2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid (PubChem CID 82300980) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
PubChem CID82300980
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
SMILESCc1ccccc1Nc1ccc(CC(=O)O)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(8-12(14)16)9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAYOPSAKFGWGEJK-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromo-2-methylanilino)-3-fluorophenyl]acetic acid
CID 84611404
2-[4-(4-bromo-3-methylanilino)-3-fluorophenyl]acetic acid
CID 84611405
2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
CID 95483501
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
CID 82296842
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
CID 82294339
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
3-fluoro-4-[(2-methylphenyl)carbamoylamino]benzoic acid
CID 63189842
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid (CID 82300980) is 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid is Cc1ccccc1Nc1ccc(CC(=O)O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid?
The InChIKey is AYOPSAKFGWGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(8-12(14)16)9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid?
2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid is sourced from PubChem (CID 82300980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).