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

C20H14ClN3O — CID 2333062

IUPACN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-16-10-11-18-22-19(23-20(25)14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-24(18)13-16/h1-11,13H,12H2/b23-19-
InChIKeyXGHJMUNQNCCKAE-NMWGTECJSA-N
MW347.81 g/mol
LogP4.14
Rot. Bonds1

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

N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (PubChem CID 2333062) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.

Molecular Properties

Compound NameN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
PubChem CID2333062
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC NameN-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-16-10-11-18-22-19(23-20(25)14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-24(18)13-16/h1-11,13H,12H2/b23-19-
InChIKeyXGHJMUNQNCCKAE-NMWGTECJSA-N
XLogP4.14
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-nitrobenzamide
CID 4089508
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 4077898
4-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2313426
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide
CID 2337748
N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4-dichlorobenzamide
CID 2308428
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
CID 2335491
3-bromo-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2309482
6-chloro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-3-carboxamide
CID 2307953
(E)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-chlorophenyl)prop-2-enamide
CID 2312423
2,2-dichloro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide
CID 2317591
N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-chloro-5-nitrobenzamide
CID 2310004
N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylprop-2-enamide
CID 4654036

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The IUPAC name of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (CID 2333062) is N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.
What is the SMILES notation for N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The canonical SMILES for N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The InChIKey is XGHJMUNQNCCKAE-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-10-11-18-22-19(23-20(25)14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-24(18)13-16/h1-11,13H,12H2/b23-19-.
What are the key properties of N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide has a molecular weight of 347.81 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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)benzamide is sourced from PubChem (CID 2333062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).