3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide

C15H20F2N2O — CID 79773246

IUPAC3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2c(F)ccc(N)c2F)C1
InChIInChI=1S/C15H20F2N2O/c1-8-5-9(2)7-10(6-8)19-15(20)13-11(16)3-4-12(18)14(13)17/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,20)
InChIKeyFYQDEVXNMSJRCM-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.10
Rot. Bonds2

About 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide

3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide (PubChem CID 79773246) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
PubChem CID79773246
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2c(F)ccc(N)c2F)C1
InChIInChI=1S/C15H20F2N2O/c1-8-5-9(2)7-10(6-8)19-15(20)13-11(16)3-4-12(18)14(13)17/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,20)
InChIKeyFYQDEVXNMSJRCM-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide (CID 79773246) is 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide is CC1CC(C)CC(NC(=O)c2c(F)ccc(N)c2F)C1.
What is the InChIKey of 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide?
The InChIKey is FYQDEVXNMSJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-8-5-9(2)7-10(6-8)19-15(20)13-11(16)3-4-12(18)14(13)17/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide?
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide has a molecular weight of 282.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79773246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).