N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide

C13H17F2NO2 — CID 115141139

IUPACN-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(17)12(18)16-7-13(2,3)9-4-5-10(14)11(15)6-9/h4-6,8,17H,7H2,1-3H3,(H,16,18)
InChIKeyQFPDLENZYKRQDZ-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide

N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide (PubChem CID 115141139) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
PubChem CID115141139
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(17)12(18)16-7-13(2,3)9-4-5-10(14)11(15)6-9/h4-6,8,17H,7H2,1-3H3,(H,16,18)
InChIKeyQFPDLENZYKRQDZ-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932099
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197053
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119809191
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
CID 115262544
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142662
1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide (CID 115141139) is N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide is CC(O)C(=O)NCC(C)(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide?
The InChIKey is QFPDLENZYKRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(17)12(18)16-7-13(2,3)9-4-5-10(14)11(15)6-9/h4-6,8,17H,7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide?
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide has a molecular weight of 257.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide is sourced from PubChem (CID 115141139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).