N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

C20H21ClN2O2 — CID 20909559

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCCc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-17-10-8-15(9-11-17)12-13-22-19(24)14-23-18-6-2-1-4-16(18)5-3-7-20(23)25/h1-2,4,6,8-11H,3,5,7,12-14H2,(H,22,24)
InChIKeyKZVDFPRBOMBFTJ-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (PubChem CID 20909559) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
PubChem CID20909559
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCCc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-17-10-8-15(9-11-17)12-13-22-19(24)14-23-18-6-2-1-4-16(18)5-3-7-20(23)25/h1-2,4,6,8-11H,3,5,7,12-14H2,(H,22,24)
InChIKeyKZVDFPRBOMBFTJ-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (CID 20909559) is N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is O=C(CN1C(=O)CCCc2ccccc21)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The InChIKey is KZVDFPRBOMBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-10-8-15(9-11-17)12-13-22-19(24)14-23-18-6-2-1-4-16(18)5-3-7-20(23)25/h1-2,4,6,8-11H,3,5,7,12-14H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide has a molecular weight of 356.85 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 20909559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).