4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide

C16H24FNO2 — CID 111697912

IUPAC4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H24FNO2/c1-12(15(19)18(4)11-16(2,3)20)9-10-13-7-5-6-8-14(13)17/h5-8,12,20H,9-11H2,1-4H3
InChIKeyZKQSCLNPJHQIEF-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.62
Rot. Bonds6

About 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide

4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide (PubChem CID 111697912) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
PubChem CID111697912
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H24FNO2/c1-12(15(19)18(4)11-16(2,3)20)9-10-13-7-5-6-8-14(13)17/h5-8,12,20H,9-11H2,1-4H3
InChIKeyZKQSCLNPJHQIEF-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide
CID 111698199
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
4-(2-fluorophenyl)butan-2-ol
CID 12618518
N,N,2-trimethyl-4-(2-methylphenyl)butanamide
CID 155475611
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211
3-chloro-N-[(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 63678464
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide (CID 111697912) is 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide is CC(CCc1ccccc1F)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The InChIKey is ZKQSCLNPJHQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(15(19)18(4)11-16(2,3)20)9-10-13-7-5-6-8-14(13)17/h5-8,12,20H,9-11H2,1-4H3.
What are the key properties of 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide has a molecular weight of 281.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 111697912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).