N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide

C14H14F3N3O2 — CID 24954992

IUPACN-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-5-2-10-12-9-4-7-22-11(9)3-6-20(12)19-13(10)14(15,16)17/h3,6H,2,4-5,7H2,1H3,(H,18,21)
InChIKeyPKOBNGSYRZCTGZ-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.97
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide

N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide (PubChem CID 24954992) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide
PubChem CID24954992
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-5-2-10-12-9-4-7-22-11(9)3-6-20(12)19-13(10)14(15,16)17/h3,6H,2,4-5,7H2,1H3,(H,18,21)
InChIKeyPKOBNGSYRZCTGZ-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide (CID 24954992) is N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide?
The InChIKey is PKOBNGSYRZCTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(21)18-5-2-10-12-9-4-7-22-11(9)3-6-20(12)19-13(10)14(15,16)17/h3,6H,2,4-5,7H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide?
N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]ethyl]acetamide is sourced from PubChem (CID 24954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).