N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide

C15H21F2NO2 — CID 103878793

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H21F2NO2/c1-4-15(5-2,9-19)8-18-14(20)12-11(16)7-6-10(3)13(12)17/h6-7,19H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyIBNUSJTXOWSDAW-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.80
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 103878793) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
PubChem CID103878793
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H21F2NO2/c1-4-15(5-2,9-19)8-18-14(20)12-11(16)7-6-10(3)13(12)17/h6-7,19H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyIBNUSJTXOWSDAW-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,6-difluoro-3-methylbenzoyl)amino]methyl]-2-methylbutanoic acid
CID 82814647
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 103843830
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816022
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide (CID 103878793) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide is CCC(CC)(CO)CNC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is IBNUSJTXOWSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-4-15(5-2,9-19)8-18-14(20)12-11(16)7-6-10(3)13(12)17/h6-7,19H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 285.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 103878793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).