3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide

C14H21FN2O2 — CID 106916443

IUPAC3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H21FN2O2/c1-9(14(19)16-3)8-17(4)12-7-5-6-11(15)13(12)10(2)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyLXETVRZGOYGSKM-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.70
Rot. Bonds5

About 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide

3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide (PubChem CID 106916443) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
PubChem CID106916443
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H21FN2O2/c1-9(14(19)16-3)8-17(4)12-7-5-6-11(15)13(12)10(2)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyLXETVRZGOYGSKM-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61442295
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide (CID 106916443) is 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cccc(F)c1C(C)O.
What is the InChIKey of 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The InChIKey is LXETVRZGOYGSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(14(19)16-3)8-17(4)12-7-5-6-11(15)13(12)10(2)18/h5-7,9-10,18H,8H2,1-4H3,(H,16,19).
What are the key properties of 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).