2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid

C14H14FNO2S — CID 113319885

IUPAC2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1cccs1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-16(7-6-11-3-2-8-19-11)10-4-5-12(14(17)18)13(15)9-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyANWJULPXCRTHLN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds5

About 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid

2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid (PubChem CID 113319885) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
PubChem CID113319885
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1cccs1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-16(7-6-11-3-2-8-19-11)10-4-5-12(14(17)18)13(15)9-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyANWJULPXCRTHLN-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79475572
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041
2-chloro-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 62945920
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid (CID 113319885) is 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid is CN(CCc1cccs1)c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid?
The InChIKey is ANWJULPXCRTHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-16(7-6-11-3-2-8-19-11)10-4-5-12(14(17)18)13(15)9-10/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid?
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid is sourced from PubChem (CID 113319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).