N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide

C14H20F2N2O — CID 63185670

IUPACN-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC(C)(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-14(2,3)8-18(5)13(19)9-6-10(15)12(17-4)11(16)7-9/h6-7,17H,8H2,1-5H3
InChIKeyBESWBVKIHZFWQX-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.12
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide

N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide (PubChem CID 63185670) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
PubChem CID63185670
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC(C)(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-14(2,3)8-18(5)13(19)9-6-10(15)12(17-4)11(16)7-9/h6-7,17H,8H2,1-5H3
InChIKeyBESWBVKIHZFWQX-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
3,5-difluoro-N-(2-fluorophenyl)-N-methyl-4-(methylamino)benzamide
CID 63185745
3-[2,2-dimethylpropyl(methyl)carbamoyl]-5-propanoylbenzoic acid
CID 163763733
N-(2,2-dimethylpropyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62177743
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
CID 63187160
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide (CID 63185670) is N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)N(C)CC(C)(C)C)cc1F.
What is the InChIKey of N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide?
The InChIKey is BESWBVKIHZFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(2,3)8-18(5)13(19)9-6-10(15)12(17-4)11(16)7-9/h6-7,17H,8H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide?
N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide has a molecular weight of 270.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63185670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).