2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid

C17H18FNO2 — CID 65059146

IUPAC2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(F)cc1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-16(13-8-10-14(18)11-9-13)19(12-17(20)21)15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,20,21)
InChIKeyQADGDLCORXYMEN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.87
Rot. Bonds6

About 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid

2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid (PubChem CID 65059146) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
PubChem CID65059146
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(F)cc1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-16(13-8-10-14(18)11-9-13)19(12-17(20)21)15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,20,21)
InChIKeyQADGDLCORXYMEN-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
CID 65059575
2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
CID 115941688
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
CID 65059482
1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea
CID 54774133
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
2-[carboxymethyl-[N-(2-ethylbutanoyl)anilino]amino]acetic acid
CID 54136841

Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid?
The IUPAC name of 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid (CID 65059146) is 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid is CCC(c1ccc(F)cc1)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid?
The InChIKey is QADGDLCORXYMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-16(13-8-10-14(18)11-9-13)19(12-17(20)21)15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid?
2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid has a molecular weight of 287.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid is sourced from PubChem (CID 65059146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).