N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide

C15H22FNO2 — CID 115186785

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-4-11(9-18)14(19)17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyDKYZIRBICFXUMV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide

N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186785) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
PubChem CID115186785
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-4-11(9-18)14(19)17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyDKYZIRBICFXUMV-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
CID 115250146
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957264
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
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide (CID 115186785) is N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide?
The InChIKey is DKYZIRBICFXUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-11(9-18)14(19)17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide?
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide has a molecular weight of 267.34 g/mol, XLogP of 2.24, 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]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).