N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide

C18H23F3N2O2 — CID 119806260

IUPACN-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide
SMILESO=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CNCCO1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(11-14)17(7-2-1-3-8-17)23-16(24)15-12-22-9-10-25-15/h4-6,11,15,22H,1-3,7-10,12H2,(H,23,24)
InChIKeyOEYGYJWAUJZZDM-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.97
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide

N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide (PubChem CID 119806260) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide
PubChem CID119806260
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide
SMILESO=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CNCCO1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(11-14)17(7-2-1-3-8-17)23-16(24)15-12-22-9-10-25-15/h4-6,11,15,22H,1-3,7-10,12H2,(H,23,24)
InChIKeyOEYGYJWAUJZZDM-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]morpholine-2-carboxamide
CID 119799441
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 154893166
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
CID 119814995
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
N-[2-(3-fluorophenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119795610
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119677901
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide (CID 119806260) is N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide is O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CNCCO1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide?
The InChIKey is OEYGYJWAUJZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(11-14)17(7-2-1-3-8-17)23-16(24)15-12-22-9-10-25-15/h4-6,11,15,22H,1-3,7-10,12H2,(H,23,24).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide?
N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide is sourced from PubChem (CID 119806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).