N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

C19H25F3N2O2 — CID 108966127

IUPACN-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H25F3N2O2/c1-18(2,16(25)23-13-9-5-3-4-6-10-13)17(26)24-15-12-8-7-11-14(15)19(20,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBRLUFKMRNNTBG-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.51
Rot. Bonds4

About N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108966127) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108966127
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H25F3N2O2/c1-18(2,16(25)23-13-9-5-3-4-6-10-13)17(26)24-15-12-8-7-11-14(15)19(20,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBRLUFKMRNNTBG-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108966127) is N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is CC(C)(C(=O)Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is BBRLUFKMRNNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-18(2,16(25)23-13-9-5-3-4-6-10-13)17(26)24-15-12-8-7-11-14(15)19(20,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 370.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108966127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).