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

C16H22F2N2O — CID 79870125

IUPACN-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCCCC2(C)C)cc1F
InChIInChI=1S/C16H22F2N2O/c1-16(2)7-5-4-6-13(16)20-15(21)10-8-11(17)14(19-3)12(18)9-10/h8-9,13,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyIYEIJHLYZPRIMD-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.71
Rot. Bonds3

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

N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 79870125) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID79870125
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCCCC2(C)C)cc1F
InChIInChI=1S/C16H22F2N2O/c1-16(2)7-5-4-6-13(16)20-15(21)10-8-11(17)14(19-3)12(18)9-10/h8-9,13,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyIYEIJHLYZPRIMD-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide (CID 79870125) is N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NC2CCCCC2(C)C)cc1F.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is IYEIJHLYZPRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(2)7-5-4-6-13(16)20-15(21)10-8-11(17)14(19-3)12(18)9-10/h8-9,13,19H,4-7H2,1-3H3,(H,20,21).
What are the key properties of N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide?
N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 79870125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).