3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide

C15H20F2N2O2 — CID 63707118

IUPAC3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-18-14-12(16)7-11(8-13(14)17)15(20)19(2)9-10-3-5-21-6-4-10/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyUMOKBGJRPXDTAZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.51
Rot. Bonds4

About 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide

3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63707118) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
PubChem CID63707118
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-18-14-12(16)7-11(8-13(14)17)15(20)19(2)9-10-3-5-21-6-4-10/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyUMOKBGJRPXDTAZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
CID 63185670
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide (CID 63707118) is 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide is CNc1c(F)cc(C(=O)N(C)CC2CCOCC2)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is UMOKBGJRPXDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-18-14-12(16)7-11(8-13(14)17)15(20)19(2)9-10-3-5-21-6-4-10/h7-8,10,18H,3-6,9H2,1-2H3.
What are the key properties of 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63707118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).