5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide

C15H20F2N2O — CID 64761802

IUPAC5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
SMILESCC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1C
InChIInChI=1S/C15H20F2N2O/c1-8-4-3-5-13(9(8)2)19-14-6-10(15(18)20)11(16)7-12(14)17/h6-9,13,19H,3-5H2,1-2H3,(H2,18,20)
InChIKeyYNGAOZBFBAMVGJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.30
Rot. Bonds3

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

5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide (PubChem CID 64761802) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
PubChem CID64761802
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
SMILESCC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1C
InChIInChI=1S/C15H20F2N2O/c1-8-4-3-5-13(9(8)2)19-14-6-10(15(18)20)11(16)7-12(14)17/h6-9,13,19H,3-5H2,1-2H3,(H2,18,20)
InChIKeyYNGAOZBFBAMVGJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
2,4-difluoro-5-[(2-methylthian-3-yl)amino]benzamide
CID 79956737
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
5-[(2,6-dimethylcyclohexyl)amino]-2,4-difluorobenzoic acid
CID 43737100
4-chloro-2-[(2,3-dimethylcyclohexyl)amino]benzenecarbothioamide
CID 63518518
2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
CID 106871627
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
6-[(2,3-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79771125

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide (CID 64761802) is 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide is CC1CCCC(Nc2cc(C(N)=O)c(F)cc2F)C1C.
What is the InChIKey of 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide?
The InChIKey is YNGAOZBFBAMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-8-4-3-5-13(9(8)2)19-14-6-10(15(18)20)11(16)7-12(14)17/h6-9,13,19H,3-5H2,1-2H3,(H2,18,20).
What are the key properties of 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide?
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide has a molecular weight of 282.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide is sourced from PubChem (CID 64761802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).