N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide

C23H26F3N3O5 — CID 130431516

IUPACN-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)
InChIKeyMQKJJTNXRNCYQL-UHFFFAOYSA-N
MW481.47 g/mol
LogP3.82
Rot. Bonds8

About N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide

N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide (PubChem CID 130431516) has the molecular formula C23H26F3N3O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
PubChem CID130431516
Molecular FormulaC23H26F3N3O5
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC NameN-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)
InChIKeyMQKJJTNXRNCYQL-UHFFFAOYSA-N
XLogP3.82
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide (CID 130431516) is N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(C(=O)NCCO)cc2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
The InChIKey is MQKJJTNXRNCYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32).
What are the key properties of N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide?
N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide has a molecular weight of 481.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide is sourced from PubChem (CID 130431516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).