(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate

C12H12F2N2O3 — CID 175215761

IUPAC(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate
SMILESCN1C(=O)C(OC(N)=O)CC(F)(F)c2ccccc21
InChIInChI=1S/C12H12F2N2O3/c1-16-8-5-3-2-4-7(8)12(13,14)6-9(10(16)17)19-11(15)18/h2-5,9H,6H2,1H3,(H2,15,18)
InChIKeyUUOVRGAKLLPFAI-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.61
Rot. Bonds1

About (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate

(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate (PubChem CID 175215761) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate.

Molecular Properties

Compound Name(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate
PubChem CID175215761
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate
SMILESCN1C(=O)C(OC(N)=O)CC(F)(F)c2ccccc21
InChIInChI=1S/C12H12F2N2O3/c1-16-8-5-3-2-4-7(8)12(13,14)6-9(10(16)17)19-11(15)18/h2-5,9H,6H2,1H3,(H2,15,18)
InChIKeyUUOVRGAKLLPFAI-UHFFFAOYSA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate?
The IUPAC name of (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate (CID 175215761) is (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate.
What is the SMILES notation for (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate?
The canonical SMILES for (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate is CN1C(=O)C(OC(N)=O)CC(F)(F)c2ccccc21.
What is the InChIKey of (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate?
The InChIKey is UUOVRGAKLLPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-16-8-5-3-2-4-7(8)12(13,14)6-9(10(16)17)19-11(15)18/h2-5,9H,6H2,1H3,(H2,15,18).
What are the key properties of (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate?
(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate has a molecular weight of 270.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate is sourced from PubChem (CID 175215761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).