N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide

C14H20F2N2O — CID 104829894

IUPACN-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC(C)C(C)(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-8(14(2,3)4)18-13(19)9-6-10(15)12(17-5)11(16)7-9/h6-8,17H,1-5H3,(H,18,19)
InChIKeyYLKHPWSTYPXTNG-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.17
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide

N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 104829894) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID104829894
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC(C)C(C)(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-8(14(2,3)4)18-13(19)9-6-10(15)12(17-5)11(16)7-9/h6-8,17H,1-5H3,(H,18,19)
InChIKeyYLKHPWSTYPXTNG-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(3,3-dimethylbutan-2-yl)-3-fluoro-4-nitrobenzamide
CID 113235175
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 65042721
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide (CID 104829894) is N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NC(C)C(C)(C)C)cc1F.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is YLKHPWSTYPXTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-8(14(2,3)4)18-13(19)9-6-10(15)12(17-5)11(16)7-9/h6-8,17H,1-5H3,(H,18,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide?
N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 270.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 104829894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).