1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide

C19H25F3N2O2 — CID 109145347

IUPAC1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)11-23-17(25)13-6-8-14(9-7-13)18(26)24-16-5-3-4-15(10-16)19(20,21)22/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWAPPHOYTAWPGSR-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.22
Rot. Bonds5

About 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145347) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145347
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)11-23-17(25)13-6-8-14(9-7-13)18(26)24-16-5-3-4-15(10-16)19(20,21)22/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWAPPHOYTAWPGSR-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 109145347) is 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide is CC(C)CNC(=O)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is WAPPHOYTAWPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-12(2)11-23-17(25)13-6-8-14(9-7-13)18(26)24-16-5-3-4-15(10-16)19(20,21)22/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 370.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).