5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid

C14H14FNO3 — CID 103236056

IUPAC5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid
SMILESCc1cc(F)ccc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-8-7-10(15)3-4-11(8)16-9(2)12-5-6-13(19-12)14(17)18/h3-7,9,16H,1-2H3,(H,17,18)
InChIKeyWPJMXMBKAUBBMA-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.60
Rot. Bonds4

About 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid

5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid (PubChem CID 103236056) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid
PubChem CID103236056
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid
SMILESCc1cc(F)ccc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-8-7-10(15)3-4-11(8)16-9(2)12-5-6-13(19-12)14(17)18/h3-7,9,16H,1-2H3,(H,17,18)
InChIKeyWPJMXMBKAUBBMA-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate
CID 103236382
5-[1-(3-chloro-4-methylanilino)ethyl]furan-2-carboxylic acid
CID 103231504
methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
CID 103249389
methyl 5-[1-(2-bromo-5-fluoroanilino)ethyl]furan-2-carboxylate
CID 107636665
3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
methyl 5-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]furan-2-carboxylate
CID 107592927
methyl 5-[1-(2,5-difluoro-4-methylanilino)ethyl]furan-2-carboxylate
CID 103586415
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid (CID 103236056) is 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid is Cc1cc(F)ccc1NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid?
The InChIKey is WPJMXMBKAUBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8-7-10(15)3-4-11(8)16-9(2)12-5-6-13(19-12)14(17)18/h3-7,9,16H,1-2H3,(H,17,18).
What are the key properties of 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid?
5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103236056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).