N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide

C19H16F3N3O3 — CID 70996826

IUPACN'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide
SMILESO=C(CC(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21)NCC(F)(F)F
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)10-23-15(26)9-16(27)25-17-13-7-2-1-5-11(13)12-6-3-4-8-14(12)24-18(17)28/h1-8,17H,9-10H2,(H,23,26)(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyQFQMJMYZIXIFSN-KRWDZBQOSA-N
MW391.35 g/mol
LogP2.53
Rot. Bonds4

About N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide

N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide (PubChem CID 70996826) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide.

Molecular Properties

Compound NameN'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide
PubChem CID70996826
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide
SMILESO=C(CC(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21)NCC(F)(F)F
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)10-23-15(26)9-16(27)25-17-13-7-2-1-5-11(13)12-6-3-4-8-14(12)24-18(17)28/h1-8,17H,9-10H2,(H,23,26)(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyQFQMJMYZIXIFSN-KRWDZBQOSA-N
XLogP2.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide
CID 58595310
N-(2,2-difluoropropyl)-2-hydroxy-N'-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)-2-propylpropanediamide
CID 76600904
N'-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)-2-phenyl-3-(3,3,3-trifluoropropyl)butanediamide
CID 123282466
N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-3-propyl-2-(3,3,3-trifluoropropyl)butanediamide
CID 90080052
7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 71049033
2-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 175736513
N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
CID 177414961
(2S)-2-[[2-(2-hydroxyphenoxy)acetyl]amino]-N-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)propanamide
CID 10114458
N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
CID 19841377
(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 7129716
(2S,3R)-N'-[(7S)-4-chloro-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
CID 90087212
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747

Frequently Asked Questions

What is the IUPAC name of N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide?
The IUPAC name of N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide (CID 70996826) is N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide.
What is the SMILES notation for N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide?
The canonical SMILES for N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide is O=C(CC(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21)NCC(F)(F)F.
What is the InChIKey of N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide?
The InChIKey is QFQMJMYZIXIFSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)10-23-15(26)9-16(27)25-17-13-7-2-1-5-11(13)12-6-3-4-8-14(12)24-18(17)28/h1-8,17H,9-10H2,(H,23,26)(H,24,28)(H,25,27)/t17-/m0/s1.
What are the key properties of N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide?
N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide has a molecular weight of 391.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N-(2,2,2-trifluoroethyl)propanediamide is sourced from PubChem (CID 70996826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).