4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide

C15H20F2N2O — CID 79872681

IUPAC4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)9-7-10(16)13(18)11(17)8-9/h7-8,12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyMRHCNJORDLJPET-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.25
Rot. Bonds2

About 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide

4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide (PubChem CID 79872681) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
PubChem CID79872681
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)9-7-10(16)13(18)11(17)8-9/h7-8,12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyMRHCNJORDLJPET-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide (CID 79872681) is 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide is CC1(C)CCCCC1NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide?
The InChIKey is MRHCNJORDLJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)9-7-10(16)13(18)11(17)8-9/h7-8,12H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide?
4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide has a molecular weight of 282.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide is sourced from PubChem (CID 79872681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).