2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide

C12H16F2N2O2 — CID 61218464

IUPAC2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(O)c1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-12(2,11(15)18)16-6-10(17)8-4-3-7(13)5-9(8)14/h3-5,10,16-17H,6H2,1-2H3,(H2,15,18)
InChIKeyYIGDDEWAGPZXQZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.85
Rot. Bonds5

About 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide (PubChem CID 61218464) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
PubChem CID61218464
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(O)c1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-12(2,11(15)18)16-6-10(17)8-4-3-7(13)5-9(8)14/h3-5,10,16-17H,6H2,1-2H3,(H2,15,18)
InChIKeyYIGDDEWAGPZXQZ-UHFFFAOYSA-N
XLogP0.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
CID 138473211
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol
CID 110921568
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide (CID 61218464) is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide is CC(C)(NCC(O)c1ccc(F)cc1F)C(N)=O.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide?
The InChIKey is YIGDDEWAGPZXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(2,11(15)18)16-6-10(17)8-4-3-7(13)5-9(8)14/h3-5,10,16-17H,6H2,1-2H3,(H2,15,18).
What are the key properties of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide?
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide has a molecular weight of 258.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide is sourced from PubChem (CID 61218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).