N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide

C14H20FNO2 — CID 121446854

IUPACN-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N[C@@H](CO)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-4-14(2,3)13(18)16-12(9-17)10-7-5-6-8-11(10)15/h5-8,12,17H,4,9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyMZRANBSKJJZUNF-LBPRGKRZSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds5

About N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide

N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide (PubChem CID 121446854) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide
PubChem CID121446854
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N[C@@H](CO)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-4-14(2,3)13(18)16-12(9-17)10-7-5-6-8-11(10)15/h5-8,12,17H,4,9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyMZRANBSKJJZUNF-LBPRGKRZSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 122632451
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide (CID 121446854) is N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N[C@@H](CO)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide?
The InChIKey is MZRANBSKJJZUNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-14(2,3)13(18)16-12(9-17)10-7-5-6-8-11(10)15/h5-8,12,17H,4,9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide?
N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide has a molecular weight of 253.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 121446854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).