5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one

C17H11ClN2O2 — CID 628149

IUPAC5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
SMILESO=C1CN=C(c2ccc(Cl)cc2)c2oc3ccccc3c2N1
InChIInChI=1S/C17H11ClN2O2/c18-11-7-5-10(6-8-11)15-17-16(20-14(21)9-19-15)12-3-1-2-4-13(12)22-17/h1-8H,9H2,(H,20,21)
InChIKeyHXCVRHGLGHYWFQ-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.88
Rot. Bonds1

About 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one

5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one (PubChem CID 628149) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
PubChem CID628149
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
SMILESO=C1CN=C(c2ccc(Cl)cc2)c2oc3ccccc3c2N1
InChIInChI=1S/C17H11ClN2O2/c18-11-7-5-10(6-8-11)15-17-16(20-14(21)9-19-15)12-3-1-2-4-13(12)22-17/h1-8H,9H2,(H,20,21)
InChIKeyHXCVRHGLGHYWFQ-UHFFFAOYSA-N
XLogP3.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one 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-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one (CID 628149) is 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one is O=C1CN=C(c2ccc(Cl)cc2)c2oc3ccccc3c2N1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The InChIKey is HXCVRHGLGHYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-11-7-5-10(6-8-11)15-17-16(20-14(21)9-19-15)12-3-1-2-4-13(12)22-17/h1-8H,9H2,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one has a molecular weight of 310.74 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 628149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).