N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide

C16H20F3NO2 — CID 55469129

IUPACN-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H20F3NO2/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3
InChIKeyQPAYRVUMVLBUDT-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.38
Rot. Bonds3

About N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide

N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 55469129) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
PubChem CID55469129
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H20F3NO2/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3
InChIKeyQPAYRVUMVLBUDT-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 55468966
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55505149
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide (CID 55469129) is N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide is CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide?
The InChIKey is QPAYRVUMVLBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide?
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 315.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55469129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).