N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide

C14H20FNO2 — CID 79201421

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
SMILESCC(C)C(NC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(2)14(16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,10,14,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyWXZDOFKPAQEVQG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide (PubChem CID 79201421) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
PubChem CID79201421
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
SMILESCC(C)C(NC(=O)CCCO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(2)14(16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,10,14,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyWXZDOFKPAQEVQG-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide (CID 79201421) is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide is CC(C)C(NC(=O)CCCO)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
The InChIKey is WXZDOFKPAQEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)14(16-13(18)4-3-9-17)11-5-7-12(15)8-6-11/h5-8,10,14,17H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide has a molecular weight of 253.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide is sourced from PubChem (CID 79201421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).