N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide

C20H22F3N3O3 — CID 6487894

IUPACN-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)NCc2ccco2)CCCCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-8-2-3-9-16(15)25-18(28)26-19(10-4-1-5-11-19)17(27)24-13-14-7-6-12-29-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,27)(H2,25,26,28)
InChIKeyXRVKPDOKEPMOGX-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.44
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 6487894) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID6487894
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)NCc2ccco2)CCCCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-8-2-3-9-16(15)25-18(28)26-19(10-4-1-5-11-19)17(27)24-13-14-7-6-12-29-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,27)(H2,25,26,28)
InChIKeyXRVKPDOKEPMOGX-UHFFFAOYSA-N
XLogP4.44
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222705
1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3804904
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide (CID 6487894) is N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)NCc2ccco2)CCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is XRVKPDOKEPMOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)15-8-2-3-9-16(15)25-18(28)26-19(10-4-1-5-11-19)17(27)24-13-14-7-6-12-29-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 6487894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).