2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid

C15H14FNO2 — CID 115461455

IUPAC2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-13-6-3-7-14(9-13)17-10-12-5-2-1-4-11(12)8-15(18)19/h1-7,9,17H,8,10H2,(H,18,19)
InChIKeyWNYWPWHAASNPCU-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.06
Rot. Bonds5

About 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid

2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid (PubChem CID 115461455) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
PubChem CID115461455
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-13-6-3-7-14(9-13)17-10-12-5-2-1-4-11(12)8-15(18)19/h1-7,9,17H,8,10H2,(H,18,19)
InChIKeyWNYWPWHAASNPCU-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142
2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361
2-[2-[(4-fluoro-3-methylanilino)methyl]phenyl]acetic acid
CID 115461942
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
CID 113482465
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid (CID 115461455) is 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNc1cccc(F)c1.
What is the InChIKey of 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid?
The InChIKey is WNYWPWHAASNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-6-3-7-14(9-13)17-10-12-5-2-1-4-11(12)8-15(18)19/h1-7,9,17H,8,10H2,(H,18,19).
What are the key properties of 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid?
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 115461455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).