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

C14H19F2NO2 — CID 103945944

IUPAC2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-4-14(3,5-6-18)17-13(19)10-7-9(2)11(15)8-12(10)16/h7-8,18H,4-6H2,1-3H3,(H,17,19)
InChIKeyMJNLPIDJMYIIOS-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.55
Rot. Bonds5

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

2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide (PubChem CID 103945944) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
PubChem CID103945944
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-4-14(3,5-6-18)17-13(19)10-7-9(2)11(15)8-12(10)16/h7-8,18H,4-6H2,1-3H3,(H,17,19)
InChIKeyMJNLPIDJMYIIOS-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
CID 113368412
2-fluoro-N-(3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 114174609
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide?
The IUPAC name of 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide (CID 103945944) is 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide is CCC(C)(CCO)NC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide?
The InChIKey is MJNLPIDJMYIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-4-14(3,5-6-18)17-13(19)10-7-9(2)11(15)8-12(10)16/h7-8,18H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide?
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide has a molecular weight of 271.31 g/mol, XLogP of 2.55, 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-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide is sourced from PubChem (CID 103945944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).