2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C18H21F3N2O2 — CID 109132496

IUPAC2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)11-5-4-8-13(9-11)23-17(25)15-10-14(15)16(24)22-12-6-2-1-3-7-12/h4-5,8-9,12,14-15H,1-3,6-7,10H2,(H,22,24)(H,23,25)
InChIKeyNSIBHOWBDXKZOC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.73
Rot. Bonds4

About 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109132496) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109132496
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)11-5-4-8-13(9-11)23-17(25)15-10-14(15)16(24)22-12-6-2-1-3-7-12/h4-5,8-9,12,14-15H,1-3,6-7,10H2,(H,22,24)(H,23,25)
InChIKeyNSIBHOWBDXKZOC-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109132496) is 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CC1C(=O)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NSIBHOWBDXKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-18(20,21)11-5-4-8-13(9-11)23-17(25)15-10-14(15)16(24)22-12-6-2-1-3-7-12/h4-5,8-9,12,14-15H,1-3,6-7,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).