2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide

C14H20F2N2O2 — CID 110897731

IUPAC2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)17-14(20)8-18(3)7-13(19)11-5-4-10(15)6-12(11)16/h4-6,9,13,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyPDFCKTLRXAHCSR-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.45
Rot. Bonds6

About 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 110897731) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID110897731
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)17-14(20)8-18(3)7-13(19)11-5-4-10(15)6-12(11)16/h4-6,9,13,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyPDFCKTLRXAHCSR-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 110898244
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110885617
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 41230794
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]benzonitrile
CID 110897867
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]-N-propan-2-ylacetamide
CID 60696268
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide (CID 110897731) is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is PDFCKTLRXAHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(2)17-14(20)8-18(3)7-13(19)11-5-4-10(15)6-12(11)16/h4-6,9,13,19H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 286.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 110897731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).