2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide

C13H17F2NO2 — CID 109479337

IUPAC2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-10(5-6-17)16-13(18)8-9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyKJAQZUSJKVTXAX-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.78
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide

2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 109479337) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID109479337
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-10(5-6-17)16-13(18)8-9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyKJAQZUSJKVTXAX-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106353084
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
CID 115767175
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
CID 109479076
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114316159
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799040
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide (CID 109479337) is 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is KJAQZUSJKVTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-10(5-6-17)16-13(18)8-9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide?
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 257.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 109479337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).