2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide

C14H21FN2O2 — CID 54984732

IUPAC2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H21FN2O2/c1-4-8-17(9-13(19)16-3)12-7-5-6-11(15)14(12)10(2)18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyFXPYLIGUQMCCMB-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.84
Rot. Bonds6

About 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide

2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide (PubChem CID 54984732) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
PubChem CID54984732
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cccc(F)c1C(C)O
InChIInChI=1S/C14H21FN2O2/c1-4-8-17(9-13(19)16-3)12-7-5-6-11(15)14(12)10(2)18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyFXPYLIGUQMCCMB-UHFFFAOYSA-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

(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide?
The IUPAC name of 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide (CID 54984732) is 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide?
The canonical SMILES for 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide is CCCN(CC(=O)NC)c1cccc(F)c1C(C)O.
What is the InChIKey of 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide?
The InChIKey is FXPYLIGUQMCCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-8-17(9-13(19)16-3)12-7-5-6-11(15)14(12)10(2)18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide?
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide 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-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide is sourced from PubChem (CID 54984732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).