5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C23H18FN3O3 — CID 5279328

IUPAC5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccc(F)cc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18FN3O3/c1-30-19-12-11-15(24)13-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyZLGNTEIVXMFDOZ-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.38
Rot. Bonds4

About 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279328) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279328
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccc(F)cc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18FN3O3/c1-30-19-12-11-15(24)13-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyZLGNTEIVXMFDOZ-UHFFFAOYSA-N
XLogP3.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279328) is 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is COc1ccc(F)cc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is ZLGNTEIVXMFDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-19-12-11-15(24)13-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28).
What are the key properties of 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).