2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H16F3NO2 — CID 110002324

IUPAC2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-3-13(2,4-5-18)17-12(19)8-6-10(15)11(16)7-9(8)14/h6-7,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyBTRSOJJWVHVGTR-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.38
Rot. Bonds5

About 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 110002324) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID110002324
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-3-13(2,4-5-18)17-12(19)8-6-10(15)11(16)7-9(8)14/h6-7,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyBTRSOJJWVHVGTR-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
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
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
2-fluoro-N-(3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 114174609
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 110002324) is 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is BTRSOJJWVHVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-13(2,4-5-18)17-12(19)8-6-10(15)11(16)7-9(8)14/h6-7,18H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 110002324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).