N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide

C17H13F3N2O — CID 11174571

IUPACN-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1=Nc2ccccc2Cc2ccccc21)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)16(23)21-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)22-15/h1-8H,9-10H2,(H,21,23)
InChIKeyJMECVUVYMZGCHY-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.39
Rot. Bonds2

About N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide

N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 11174571) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID11174571
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1=Nc2ccccc2Cc2ccccc21)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)16(23)21-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)22-15/h1-8H,9-10H2,(H,21,23)
InChIKeyJMECVUVYMZGCHY-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide (CID 11174571) is N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1=Nc2ccccc2Cc2ccccc21)C(F)(F)F.
What is the InChIKey of N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is JMECVUVYMZGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)16(23)21-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)22-15/h1-8H,9-10H2,(H,21,23).
What are the key properties of N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide?
N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 318.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11174571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).