N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide

C13H17F2NO2 — CID 103770174

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-8(2)9-3-5-10(6-4-9)13(18)16-7-11(17)12(14)15/h3-6,8,11-12,17H,7H2,1-2H3,(H,16,18)
InChIKeyQTLZCFIWKJXMHP-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.17
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide

N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide (PubChem CID 103770174) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
PubChem CID103770174
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-8(2)9-3-5-10(6-4-9)13(18)16-7-11(17)12(14)15/h3-6,8,11-12,17H,7H2,1-2H3,(H,16,18)
InChIKeyQTLZCFIWKJXMHP-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide (CID 103770174) is N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide?
The InChIKey is QTLZCFIWKJXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(2)9-3-5-10(6-4-9)13(18)16-7-11(17)12(14)15/h3-6,8,11-12,17H,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide has a molecular weight of 257.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 103770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).