2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide

C14H21FN2O2 — CID 78940287

IUPAC2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C14H21FN2O2/c1-4-7-16-14(19)9-17(3)13-6-5-11(15)8-12(13)10(2)18/h5-6,8,10,18H,4,7,9H2,1-3H3,(H,16,19)/t10-/m1/s1
InChIKeyHDBQIIPGWHRHAI-SNVBAGLBSA-N
MW268.33 g/mol
LogP1.84
Rot. Bonds6

About 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide (PubChem CID 78940287) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
PubChem CID78940287
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C14H21FN2O2/c1-4-7-16-14(19)9-17(3)13-6-5-11(15)8-12(13)10(2)18/h5-6,8,10,18H,4,7,9H2,1-3H3,(H,16,19)/t10-/m1/s1
InChIKeyHDBQIIPGWHRHAI-SNVBAGLBSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propylacetamide
CID 55133240
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The IUPAC name of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide (CID 78940287) is 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The canonical SMILES for 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The InChIKey is HDBQIIPGWHRHAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-7-16-14(19)9-17(3)13-6-5-11(15)8-12(13)10(2)18/h5-6,8,10,18H,4,7,9H2,1-3H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide has a molecular weight of 268.33 g/mol, XLogP of 1.84, 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-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide is sourced from PubChem (CID 78940287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).