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

C20H14FN3O — CID 2307702

IUPAC3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O/c21-16-8-5-7-14(12-16)20(25)23-19-17-9-2-1-6-15(17)13-24-11-4-3-10-18(24)22-19/h1-12H,13H2/b23-19-
InChIKeyWELZXUCBZPKSJY-NMWGTECJSA-N
MW331.35 g/mol
LogP3.71
Rot. Bonds1

About 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (PubChem CID 2307702) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
PubChem CID2307702
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O/c21-16-8-5-7-14(12-16)20(25)23-19-17-9-2-1-6-15(17)13-24-11-4-3-10-18(24)22-19/h1-12H,13H2/b23-19-
InChIKeyWELZXUCBZPKSJY-NMWGTECJSA-N
XLogP3.71
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The IUPAC name of 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (CID 2307702) is 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.
What is the SMILES notation for 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The canonical SMILES for 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The InChIKey is WELZXUCBZPKSJY-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-16-8-5-7-14(12-16)20(25)23-19-17-9-2-1-6-15(17)13-24-11-4-3-10-18(24)22-19/h1-12H,13H2/b23-19-.
What are the key properties of 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide has a molecular weight of 331.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is sourced from PubChem (CID 2307702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).