2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide

C13H17F2NO2 — CID 109478990

IUPAC2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-3-9(4-5-17)16-13(18)10-6-8(2)11(14)7-12(10)15/h6-7,9,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyYJGWQTZUCZUIIW-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.16
Rot. Bonds5

About 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide

2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide (PubChem CID 109478990) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
PubChem CID109478990
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-3-9(4-5-17)16-13(18)10-6-8(2)11(14)7-12(10)15/h6-7,9,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyYJGWQTZUCZUIIW-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
CID 115767171
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
N-(3-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 113497969
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
CID 176704795
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
CID 97340531

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide?
The IUPAC name of 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide (CID 109478990) is 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide is CCC(CCO)NC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide?
The InChIKey is YJGWQTZUCZUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-9(4-5-17)16-13(18)10-6-8(2)11(14)7-12(10)15/h6-7,9,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide?
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide has a molecular weight of 257.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide is sourced from PubChem (CID 109478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).