2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 62808321

IUPAC2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC1CCC(N)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)8-1-6-12(11(7-8)13(19)20)21-10-4-2-9(18)3-5-10/h1,6-7,9-10H,2-5,18H2,(H2,19,20)
InChIKeyXRDJEQGPVGDKIQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide

2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide (PubChem CID 62808321) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
PubChem CID62808321
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC1CCC(N)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)8-1-6-12(11(7-8)13(19)20)21-10-4-2-9(18)3-5-10/h1,6-7,9-10H,2-5,18H2,(H2,19,20)
InChIKeyXRDJEQGPVGDKIQ-UHFFFAOYSA-N
XLogP2.45
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide (CID 62808321) is 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide?
The InChIKey is XRDJEQGPVGDKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)8-1-6-12(11(7-8)13(19)20)21-10-4-2-9(18)3-5-10/h1,6-7,9-10H,2-5,18H2,(H2,19,20).
What are the key properties of 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide?
2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 62808321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).