3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide

C15H19F2NO2 — CID 51537876

IUPAC3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H19F2NO2/c1-10-5-2-3-8-13(10)18-14(19)11-6-4-7-12(9-11)20-15(16)17/h4,6-7,9-10,13,15H,2-3,5,8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyVINJMIKVPYFQOX-ZWNOBZJWSA-N
MW283.32 g/mol
LogP3.60
Rot. Bonds4

About 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide

3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide (PubChem CID 51537876) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
PubChem CID51537876
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H19F2NO2/c1-10-5-2-3-8-13(10)18-14(19)11-6-4-7-12(9-11)20-15(16)17/h4,6-7,9-10,13,15H,2-3,5,8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyVINJMIKVPYFQOX-ZWNOBZJWSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
3-(2-hydroxypropan-2-yl)-N-(2-methylcyclohexyl)benzamide
CID 110486141
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 4779643
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2551173

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide (CID 51537876) is 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide is C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is VINJMIKVPYFQOX-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10-5-2-3-8-13(10)18-14(19)11-6-4-7-12(9-11)20-15(16)17/h4,6-7,9-10,13,15H,2-3,5,8H2,1H3,(H,18,19)/t10-,13-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 283.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 51537876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).