4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 63707294

IUPAC4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-7-10(1-2-12(11)18)13(20)19-8-9-3-5-21-6-4-9/h1-2,7,9H,3-6,8,18H2,(H,19,20)
InChIKeyFSPGINVGUGSLMV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.44
Rot. Bonds3

About 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide

4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 63707294) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID63707294
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-7-10(1-2-12(11)18)13(20)19-8-9-3-5-21-6-4-9/h1-2,7,9H,3-6,8,18H2,(H,19,20)
InChIKeyFSPGINVGUGSLMV-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide (CID 63707294) is 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)NCC2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FSPGINVGUGSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-7-10(1-2-12(11)18)13(20)19-8-9-3-5-21-6-4-9/h1-2,7,9H,3-6,8,18H2,(H,19,20).
What are the key properties of 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63707294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).