N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide

C17H15F3N2O — CID 22288540

IUPACN-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide
SMILESCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21
InChIInChI=1S/C17H15F3N2O/c1-2-22-10-11-7-8-12(21-16(23)17(18,19)20)9-14(11)13-5-3-4-6-15(13)22/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyBSYZLLRPXDYMFO-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.19
Rot. Bonds2

About N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide (PubChem CID 22288540) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide
PubChem CID22288540
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide
SMILESCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21
InChIInChI=1S/C17H15F3N2O/c1-2-22-10-11-7-8-12(21-16(23)17(18,19)20)9-14(11)13-5-3-4-6-15(13)22/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyBSYZLLRPXDYMFO-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide (CID 22288540) is N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide is CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21.
What is the InChIKey of N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BSYZLLRPXDYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-2-22-10-11-7-8-12(21-16(23)17(18,19)20)9-14(11)13-5-3-4-6-15(13)22/h3-9H,2,10H2,1H3,(H,21,23).
What are the key properties of N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide has a molecular weight of 320.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6H-phenanthridin-9-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22288540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).