N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide

C14H20FNO2 — CID 115163181

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
SMILESCC(C)(CNC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-14(2,10-16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyVPQLHFIIAUBQOC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide

N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide (PubChem CID 115163181) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
PubChem CID115163181
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
SMILESCC(C)(CNC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-14(2,10-16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyVPQLHFIIAUBQOC-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide (CID 115163181) is N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide is CC(C)(CNC(=O)CCCO)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The InChIKey is VPQLHFIIAUBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,10-16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide has a molecular weight of 253.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide is sourced from PubChem (CID 115163181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).