2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide

C13H19FN2O2 — CID 54984828

IUPAC2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1ccc(F)cc1CO
InChIInChI=1S/C13H19FN2O2/c1-3-6-16(8-13(18)15-2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyOAPRXWWDRIOYBB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide

2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide (PubChem CID 54984828) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide
PubChem CID54984828
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1ccc(F)cc1CO
InChIInChI=1S/C13H19FN2O2/c1-3-6-16(8-13(18)15-2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyOAPRXWWDRIOYBB-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63059377
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
CID 66100295
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
2-(2-bromo-4-cyano-N-propylanilino)-N-methylacetamide
CID 82797275
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775
2-(3-fluoro-5-nitro-N-propylanilino)-N-methylacetamide
CID 80752537
[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
CID 61448819

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide (CID 54984828) is 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide is CCCN(CC(=O)NC)c1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide?
The InChIKey is OAPRXWWDRIOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-6-16(8-13(18)15-2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide?
2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)-N-propylanilino]-N-methylacetamide is sourced from PubChem (CID 54984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).