N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide

C21H16ClN3O2 — CID 2337748

IUPACN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21
InChIInChI=1S/C21H16ClN3O2/c22-16-10-11-19-23-21(18-9-5-4-6-15(18)12-25(19)13-16)24-20(26)14-27-17-7-2-1-3-8-17/h1-11,13H,12,14H2/b24-21-
InChIKeyLCNYCCWZZIOXLM-FLFQWRMESA-N
MW377.83 g/mol
LogP3.90
Rot. Bonds3

About N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide

N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide (PubChem CID 2337748) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide
PubChem CID2337748
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21
InChIInChI=1S/C21H16ClN3O2/c22-16-10-11-19-23-21(18-9-5-4-6-15(18)12-25(19)13-16)24-20(26)14-27-17-7-2-1-3-8-17/h1-11,13H,12,14H2/b24-21-
InChIKeyLCNYCCWZZIOXLM-FLFQWRMESA-N
XLogP3.90
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2333062
N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylprop-2-enamide
CID 4654036
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
CID 2335491
N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-chloro-5-nitrobenzamide
CID 2310004
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)bicyclo[2.2.1]heptane-1-carboxamide
CID 4166689
2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide
CID 2391325
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-phenoxyacetic acid;titanium
CID 174896747
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide
CID 2421625
2-phenoxyacetyl isocyanate
CID 12655631

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide (CID 2337748) is N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide is O=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21.
What is the InChIKey of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide?
The InChIKey is LCNYCCWZZIOXLM-FLFQWRMESA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-16-10-11-19-23-21(18-9-5-4-6-15(18)12-25(19)13-16)24-20(26)14-27-17-7-2-1-3-8-17/h1-11,13H,12,14H2/b24-21-.
What are the key properties of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide?
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide has a molecular weight of 377.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 2337748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).