2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide

C13H17F2NO — CID 55210661

IUPAC2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-8(2)9(3)16(4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,1-4H3
InChIKeyQIOJMDFJLOPWDF-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.08
Rot. Bonds3

About 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide

2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 55210661) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID55210661
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-8(2)9(3)16(4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,1-4H3
InChIKeyQIOJMDFJLOPWDF-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2,3-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 55099719
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
2-[(3-fluoro-2-methylbenzoyl)-methylamino]propanoic acid
CID 122107523
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 55210661) is 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is QIOJMDFJLOPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(2)9(3)16(4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,1-4H3.
What are the key properties of 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 241.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 55210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).