N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H24F3NO — CID 112806629

IUPACN-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C19H24F3NO/c1-23(13-8-4-2-3-5-9-13)18(24)16-12-15(16)14-10-6-7-11-17(14)19(20,21)22/h6-7,10-11,13,15-16H,2-5,8-9,12H2,1H3
InChIKeyWRDLQZMTQCKIFB-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.99
Rot. Bonds3

About N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112806629) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112806629
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C19H24F3NO/c1-23(13-8-4-2-3-5-9-13)18(24)16-12-15(16)14-10-6-7-11-17(14)19(20,21)22/h6-7,10-11,13,15-16H,2-5,8-9,12H2,1H3
InChIKeyWRDLQZMTQCKIFB-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112806629) is N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WRDLQZMTQCKIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO/c1-23(13-8-4-2-3-5-9-13)18(24)16-12-15(16)14-10-6-7-11-17(14)19(20,21)22/h6-7,10-11,13,15-16H,2-5,8-9,12H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.99, 3 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-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112806629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).