2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide

C16H21F2NO3 — CID 51154491

IUPAC2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cccc(C(=O)NC2CCC(C)CC2)c1OC(F)F
InChIInChI=1S/C16H21F2NO3/c1-10-6-8-11(9-7-10)19-15(20)12-4-3-5-13(21-2)14(12)22-16(17)18/h3-5,10-11,16H,6-9H2,1-2H3,(H,19,20)
InChIKeyCPCYKRLKTNKWHH-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.61
Rot. Bonds5

About 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide (PubChem CID 51154491) has the molecular formula C16H21F2NO3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
PubChem CID51154491
Molecular FormulaC16H21F2NO3
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cccc(C(=O)NC2CCC(C)CC2)c1OC(F)F
InChIInChI=1S/C16H21F2NO3/c1-10-6-8-11(9-7-10)19-15(20)12-4-3-5-13(21-2)14(12)22-16(17)18/h3-5,10-11,16H,6-9H2,1-2H3,(H,19,20)
InChIKeyCPCYKRLKTNKWHH-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide (CID 51154491) is 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide is COc1cccc(C(=O)NC2CCC(C)CC2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide?
The InChIKey is CPCYKRLKTNKWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO3/c1-10-6-8-11(9-7-10)19-15(20)12-4-3-5-13(21-2)14(12)22-16(17)18/h3-5,10-11,16H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide has a molecular weight of 313.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 51154491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).