2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

C13H15F3N2O2 — CID 80028294

IUPAC2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESC1CC(COC1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)N
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-4-9(11(10)17)12(19)18-8-3-2-6-20-7-8/h1,4-5,8H,2-3,6-7,17H2,(H,18,19)
InChIKeyAQKOPHRSEWDURJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.40
Rot. Bonds2

About 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 80028294) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID80028294
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESC1CC(COC1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)N
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-4-9(11(10)17)12(19)18-8-3-2-6-20-7-8/h1,4-5,8H,2-3,6-7,17H2,(H,18,19)
InChIKeyAQKOPHRSEWDURJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity349

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-amino-N-(oxolan-2-ylmethyl)benzamide
CID 3135654
2,4-difluoro-N-(2-{[(3-morpholinopropyl)amino]carbonyl}phenyl)benzamide
CID 2812995
2-amino-N-(2,2,2-trifluoroethyl)benzamide
CID 7064003
2-Amino-N-(2-methoxyethyl)benzamide
CID 15943054
N-[3-(methylamino)-3-oxopropyl]-2-morpholin-4-ylbenzamide
CID 51106839
N-[3-(cyclopentylamino)-3-oxopropyl]-2-morpholin-4-ylbenzamide
CID 53569922
(2-Amino-6-fluorophenyl)-morpholin-4-ylmethanone
CID 168298270
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 117846288
N-(2-methoxyethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 2986700
2-amino-3-methyl-N-(1-methylethyl)benzamide
CID 16776093

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (CID 80028294) is 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is C1CC(COC1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)N.
What is the InChIKey of 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is AQKOPHRSEWDURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-4-9(11(10)17)12(19)18-8-3-2-6-20-7-8/h1,4-5,8H,2-3,6-7,17H2,(H,18,19).
What are the key properties of 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 80028294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).