3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide

C16H22F2N2O — CID 107121249

IUPAC3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)cc(N)c1F)C1CCC(C)(C)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2)6-4-11(5-7-16)20(3)15(21)12-8-10(17)9-13(19)14(12)18/h8-9,11H,4-7,19H2,1-3H3
InChIKeyGHSSVFZLWFRGET-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.59
Rot. Bonds2

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

3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide (PubChem CID 107121249) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide
PubChem CID107121249
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)cc(N)c1F)C1CCC(C)(C)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2)6-4-11(5-7-16)20(3)15(21)12-8-10(17)9-13(19)14(12)18/h8-9,11H,4-7,19H2,1-3H3
InChIKeyGHSSVFZLWFRGET-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
(3-amino-2,5-difluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107121163
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 103296058
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide (CID 107121249) is 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide is CN(C(=O)c1cc(F)cc(N)c1F)C1CCC(C)(C)CC1.
What is the InChIKey of 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide?
The InChIKey is GHSSVFZLWFRGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(2)6-4-11(5-7-16)20(3)15(21)12-8-10(17)9-13(19)14(12)18/h8-9,11H,4-7,19H2,1-3H3.
What are the key properties of 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide?
3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 107121249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).