N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H22F3NO2 — CID 111459667

IUPACN-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)16(24)22-11-12-3-1-6-15(23)9-12/h2,4-5,10,12,15,23H,1,3,6-9,11H2,(H,22,24)
InChIKeyGIQHVNAINDMYIZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.40
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 111459667) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID111459667
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)16(24)22-11-12-3-1-6-15(23)9-12/h2,4-5,10,12,15,23H,1,3,6-9,11H2,(H,22,24)
InChIKeyGIQHVNAINDMYIZ-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 154665746
N-(4-hydroxycyclohexyl)-2-[2-(2-phenylethyl)cyclopropyl]acetamide
CID 155258701
N-[(1s,4s)-4-Hydroxycyclohexyl] (1R,2R)-2-(3-phenylpropyl)cyclopropanecarboxamide
CID 164946745
cis-(1S,2S)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 165138205
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(hydroxymethyl)-1-phenylcyclohexane-1-carboxamide
CID 22293461
1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
CID 71787603
cis-N-[3-(2-fluorophenyl)propyl]-3-hydroxycyclohexanecarboxamide
CID 91772167
cis-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-3-hydroxycyclohexanecarboxamide
CID 91786829
N-(2-cyclohexyl-2-hydroxyethyl)-2-(3-methylphenyl)acetamide
CID 56764286
N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide
CID 56764310
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 40234266
2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide
CID 71845965

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 111459667) is N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NCC1CCCC(O)C1)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is GIQHVNAINDMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c19-18(20,21)14-5-2-4-13(10-14)17(7-8-17)16(24)22-11-12-3-1-6-15(23)9-12/h2,4-5,10,12,15,23H,1,3,6-9,11H2,(H,22,24).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).