1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C17H15ClN2O3 — CID 4573481

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(CCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClN2O3/c18-13-6-2-4-8-15(13)23-10-9-20-14-7-3-1-5-12(14)17(22)19-11-16(20)21/h1-8H,9-11H2,(H,19,22)
InChIKeyMQWMJYXAPKZTGM-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 4573481) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID4573481
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(CCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClN2O3/c18-13-6-2-4-8-15(13)23-10-9-20-14-7-3-1-5-12(14)17(22)19-11-16(20)21/h1-8H,9-11H2,(H,19,22)
InChIKeyMQWMJYXAPKZTGM-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione 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 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 4573481) is 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is O=C1NCC(=O)N(CCOc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is MQWMJYXAPKZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-13-6-2-4-8-15(13)23-10-9-20-14-7-3-1-5-12(14)17(22)19-11-16(20)21/h1-8H,9-11H2,(H,19,22).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 330.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 4573481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).