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

C15H20F2N2O — CID 64741481

IUPAC4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
SMILESCC1CCC(NC(=O)c2cc(F)c(N)c(F)c2)CC1C
InChIInChI=1S/C15H20F2N2O/c1-8-3-4-11(5-9(8)2)19-15(20)10-6-12(16)14(18)13(17)7-10/h6-9,11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyOLQLZKPVWCFDFP-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.10
Rot. Bonds2

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

4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide (PubChem CID 64741481) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
PubChem CID64741481
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
SMILESCC1CCC(NC(=O)c2cc(F)c(N)c(F)c2)CC1C
InChIInChI=1S/C15H20F2N2O/c1-8-3-4-11(5-9(8)2)19-15(20)10-6-12(16)14(18)13(17)7-10/h6-9,11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyOLQLZKPVWCFDFP-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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Related Compounds

4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356989
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
CID 104578735
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide (CID 64741481) is 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide is CC1CCC(NC(=O)c2cc(F)c(N)c(F)c2)CC1C.
What is the InChIKey of 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide?
The InChIKey is OLQLZKPVWCFDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-8-3-4-11(5-9(8)2)19-15(20)10-6-12(16)14(18)13(17)7-10/h6-9,11H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide?
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-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 4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide is sourced from PubChem (CID 64741481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).