3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide

C13H17F2NO2 — CID 103861935

IUPAC3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-9(8-17)3-2-6-16-13(18)10-4-5-11(14)12(15)7-10/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyFGUYCXUCQJBEDU-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.10
Rot. Bonds6

About 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide

3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 103861935) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID103861935
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-9(8-17)3-2-6-16-13(18)10-4-5-11(14)12(15)7-10/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyFGUYCXUCQJBEDU-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
3,4-difluoro-N-heptylbenzamide
CID 91717416
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide (CID 103861935) is 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is FGUYCXUCQJBEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9(8-17)3-2-6-16-13(18)10-4-5-11(14)12(15)7-10/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103861935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).