N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide

C20H22F3N3O3 — CID 6487919

IUPACN-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)14-6-8-15(9-7-14)25-18(28)26-19(10-2-1-3-11-19)17(27)24-13-16-5-4-12-29-16/h4-9,12H,1-3,10-11,13H2,(H,24,27)(H2,25,26,28)
InChIKeyZSRJLXBXSROVAR-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.44
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 6487919) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID6487919
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)14-6-8-15(9-7-14)25-18(28)26-19(10-2-1-3-11-19)17(27)24-13-16-5-4-12-29-16/h4-9,12H,1-3,10-11,13H2,(H,24,27)(H2,25,26,28)
InChIKeyZSRJLXBXSROVAR-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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide (CID 6487919) is N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is ZSRJLXBXSROVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)14-6-8-15(9-7-14)25-18(28)26-19(10-2-1-3-11-19)17(27)24-13-16-5-4-12-29-16/h4-9,12H,1-3,10-11,13H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-(furan-2-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[[4-(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-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 6487919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).