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

C13H12FNO2S — CID 39364504

IUPAC2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
SMILESO=C(O)CN(Cc1cccs1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)15(9-13(16)17)8-10-4-3-7-18-10/h1-7H,8-9H2,(H,16,17)
InChIKeyIDCNCDAWPZQHFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.98
Rot. Bonds5

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

2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid (PubChem CID 39364504) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
PubChem CID39364504
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
SMILESO=C(O)CN(Cc1cccs1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)15(9-13(16)17)8-10-4-3-7-18-10/h1-7H,8-9H2,(H,16,17)
InChIKeyIDCNCDAWPZQHFL-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63775345
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-fluoro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]benzoic acid
CID 79511320
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The IUPAC name of 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid (CID 39364504) is 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid is O=C(O)CN(Cc1cccs1)c1ccccc1F.
What is the InChIKey of 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The InChIKey is IDCNCDAWPZQHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)15(9-13(16)17)8-10-4-3-7-18-10/h1-7H,8-9H2,(H,16,17).
What are the key properties of 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid?
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid is sourced from PubChem (CID 39364504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).