5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

C16H13F3N2O — CID 14306227

IUPAC5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-9-10-5-1-3-7-13(10)21(15(20)22)14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H2,20,22)
InChIKeyBWYYFWITWGKBBZ-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.11
Rot. Bonds

About 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 14306227) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID14306227
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-9-10-5-1-3-7-13(10)21(15(20)22)14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H2,20,22)
InChIKeyBWYYFWITWGKBBZ-UHFFFAOYSA-N
XLogP4.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]methyl formate
CID 121244798
5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 2847675
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate
CID 10222152
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
CID 10155679
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 3-methoxybenzoate
CID 10221863
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
[(5R)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] (2S)-1-benzylpyrrolidine-2-carboxylate
CID 54596185
2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174884502
(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone
CID 70515285
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
(2R)-2-[(4S)-4-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanoic acid
CID 125478149

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 14306227) is 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2CC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is BWYYFWITWGKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)12-9-10-5-1-3-7-13(10)21(15(20)22)14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H2,20,22).
What are the key properties of 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 14306227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).