4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide

C21H22F3N3O4 — CID 130431473

IUPAC4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H22F3N3O4/c22-21(23,24)31-18-11-5-15(6-12-18)27-20(29)26-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(25)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,28)(H2,26,27,29)
InChIKeyUCZXSTDUJODSMR-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.20
Rot. Bonds6

About 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide

4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide (PubChem CID 130431473) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide.

Molecular Properties

Compound Name4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
PubChem CID130431473
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC Name4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H22F3N3O4/c22-21(23,24)31-18-11-5-15(6-12-18)27-20(29)26-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(25)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,28)(H2,26,27,29)
InChIKeyUCZXSTDUJODSMR-UHFFFAOYSA-N
XLogP4.20
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The IUPAC name of 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide (CID 130431473) is 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide.
What is the SMILES notation for 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The canonical SMILES for 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide is NC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The InChIKey is UCZXSTDUJODSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c22-21(23,24)31-18-11-5-15(6-12-18)27-20(29)26-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(25)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,28)(H2,26,27,29).
What are the key properties of 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide has a molecular weight of 437.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide is sourced from PubChem (CID 130431473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).