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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Related Compounds

N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 75495592
4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 96545552
trans-(1R,2R)-N-(1-cyanocyclobutyl)-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96997631
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556916
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
2-(2-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 55474890
cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide
CID 96570480
cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124829902

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).