N-(3,5-difluorophenyl)-3-methylbutanamide

C11H13F2NO — CID 2987889

IUPACN-(3,5-difluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyIWAIZCLRODJNCE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.95
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-methylbutanamide

N-(3,5-difluorophenyl)-3-methylbutanamide (PubChem CID 2987889) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-methylbutanamide
PubChem CID2987889
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-(3,5-difluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyIWAIZCLRODJNCE-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
dimethyl 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate
CID 694694
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43241622
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
[2-fluoro-5-(3-methylbutanoylamino)phenyl]boronic acid
CID 164647260
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-methylbutanamide (CID 2987889) is N-(3,5-difluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-methylbutanamide?
The InChIKey is IWAIZCLRODJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-difluorophenyl)-3-methylbutanamide?
N-(3,5-difluorophenyl)-3-methylbutanamide has a molecular weight of 213.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 2987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).