2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid

C13H12FNO3 — CID 39351607

IUPAC2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
SMILESO=C(O)CN(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c14-10-3-5-11(6-4-10)15(9-13(16)17)8-12-2-1-7-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeySEGMLGPNOTUQOG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid

2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid (PubChem CID 39351607) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
PubChem CID39351607
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
SMILESO=C(O)CN(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c14-10-3-5-11(6-4-10)15(9-13(16)17)8-12-2-1-7-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeySEGMLGPNOTUQOG-UHFFFAOYSA-N
XLogP2.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 53016301
(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide
CID 75461687
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 114014604

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid?
The IUPAC name of 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid (CID 39351607) is 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid is O=C(O)CN(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid?
The InChIKey is SEGMLGPNOTUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-10-3-5-11(6-4-10)15(9-13(16)17)8-12-2-1-7-18-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid?
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid has a molecular weight of 249.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid is sourced from PubChem (CID 39351607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).