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

C20H14FN3O — CID 4577168

IUPAC2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1F
InChIInChI=1S/C20H14FN3O/c21-17-10-4-3-9-16(17)20(25)23-19-15-8-2-1-7-14(15)13-24-12-6-5-11-18(24)22-19/h1-12H,13H2/b23-19-
InChIKeyCJZNEDHRMORVLX-NMWGTECJSA-N
MW331.35 g/mol
LogP3.71
Rot. Bonds1

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

2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (PubChem CID 4577168) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
PubChem CID4577168
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1F
InChIInChI=1S/C20H14FN3O/c21-17-10-4-3-9-16(17)20(25)23-19-15-8-2-1-7-14(15)13-24-12-6-5-11-18(24)22-19/h1-12H,13H2/b23-19-
InChIKeyCJZNEDHRMORVLX-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 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The IUPAC name of 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (CID 4577168) is 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.
What is the SMILES notation for 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The canonical SMILES for 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The InChIKey is CJZNEDHRMORVLX-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-17-10-4-3-9-16(17)20(25)23-19-15-8-2-1-7-14(15)13-24-12-6-5-11-18(24)22-19/h1-12H,13H2/b23-19-.
What are the key properties of 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
2-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 2-fluoro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is sourced from PubChem (CID 4577168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).