2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid

C11H14FNO2 — CID 145054676

IUPAC2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
SMILESCCc1cc(F)ccc1N(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-3-8-6-9(12)4-5-10(8)13(2)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyUQUWQJZNZCBORB-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid

2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid (PubChem CID 145054676) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
PubChem CID145054676
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
SMILESCCc1cc(F)ccc1N(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-3-8-6-9(12)4-5-10(8)13(2)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyUQUWQJZNZCBORB-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid?
The IUPAC name of 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid (CID 145054676) is 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid is CCc1cc(F)ccc1N(C)CC(=O)O.
What is the InChIKey of 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid?
The InChIKey is UQUWQJZNZCBORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-8-6-9(12)4-5-10(8)13(2)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid?
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid has a molecular weight of 211.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid is sourced from PubChem (CID 145054676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).