N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide

C24H23ClN2O2 — CID 53034093

IUPACN-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
SMILESO=C(CC1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H23ClN2O2/c25-20-11-12-23-22(13-20)27(16-19-9-5-2-6-10-19)21(17-29-23)14-24(28)26-15-18-7-3-1-4-8-18/h1-13,21H,14-17H2,(H,26,28)
InChIKeyDKPUNDGSVSCKDT-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.81
Rot. Bonds6

About N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide

N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide (PubChem CID 53034093) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
PubChem CID53034093
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
SMILESO=C(CC1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H23ClN2O2/c25-20-11-12-23-22(13-20)27(16-19-9-5-2-6-10-19)21(17-29-23)14-24(28)26-15-18-7-3-1-4-8-18/h1-13,21H,14-17H2,(H,26,28)
InChIKeyDKPUNDGSVSCKDT-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide 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 N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide (CID 53034093) is N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide is O=C(CC1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide?
The InChIKey is DKPUNDGSVSCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-20-11-12-23-22(13-20)27(16-19-9-5-2-6-10-19)21(17-29-23)14-24(28)26-15-18-7-3-1-4-8-18/h1-13,21H,14-17H2,(H,26,28).
What are the key properties of N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide?
N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide is sourced from PubChem (CID 53034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).