2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide

C15H23FN2O2 — CID 111448324

IUPAC2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide
SMILESCC(C)CC(C)(NCC(O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-15(3,14(17)20)18-9-13(19)11-4-6-12(16)7-5-11/h4-7,10,13,18-19H,8-9H2,1-3H3,(H2,17,20)
InChIKeyUGCNIPRGZFQUOR-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.74
Rot. Bonds7

About 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide (PubChem CID 111448324) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide
PubChem CID111448324
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide
SMILESCC(C)CC(C)(NCC(O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-15(3,14(17)20)18-9-13(19)11-4-6-12(16)7-5-11/h4-7,10,13,18-19H,8-9H2,1-3H3,(H2,17,20)
InChIKeyUGCNIPRGZFQUOR-UHFFFAOYSA-N
XLogP1.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanoate
CID 111109844
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
CID 68854962
(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
CID 95347154
(2R)-2-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
CID 95347153
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide (CID 111448324) is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide is CC(C)CC(C)(NCC(O)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide?
The InChIKey is UGCNIPRGZFQUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)8-15(3,14(17)20)18-9-13(19)11-4-6-12(16)7-5-11/h4-7,10,13,18-19H,8-9H2,1-3H3,(H2,17,20).
What are the key properties of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide?
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide is sourced from PubChem (CID 111448324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).