N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide

C16H20F3NO — CID 55469731

IUPACN-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C16H20F3NO/c1-20(12-8-4-2-3-5-9-12)15(21)13-10-6-7-11-14(13)16(17,18)19/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLOFWSYNETUUQNZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.50
Rot. Bonds2

About N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide

N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 55469731) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID55469731
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C16H20F3NO/c1-20(12-8-4-2-3-5-9-12)15(21)13-10-6-7-11-14(13)16(17,18)19/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyLOFWSYNETUUQNZ-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 113252164
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2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
tert-butyl (3S)-3-[cyclohexyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 58646901
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
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CID 4938931

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide (CID 55469731) is N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide is CN(C(=O)c1ccccc1C(F)(F)F)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is LOFWSYNETUUQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-20(12-8-4-2-3-5-9-12)15(21)13-10-6-7-11-14(13)16(17,18)19/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide?
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 299.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 55469731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).