N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide

C24H16FN3O3 — CID 14208210

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1
InChIInChI=1S/C24H16FN3O3/c25-17-10-4-2-8-15(17)21-16-9-3-5-11-18(16)26-24(30)22(27-21)28-23(29)20-13-14-7-1-6-12-19(14)31-20/h1-13,22H,(H,26,30)(H,28,29)
InChIKeyGGSIMJVXOSAEBI-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.12
Rot. Bonds3

About N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 14208210) has the molecular formula C24H16FN3O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID14208210
Molecular FormulaC24H16FN3O3
Molecular Weight413.41 g/mol
Exact Mass413.12
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1
InChIInChI=1S/C24H16FN3O3/c25-17-10-4-2-8-15(17)21-16-9-3-5-11-18(16)26-24(30)22(27-21)28-23(29)20-13-14-7-1-6-12-19(14)31-20/h1-13,22H,(H,26,30)(H,28,29)
InChIKeyGGSIMJVXOSAEBI-UHFFFAOYSA-N
XLogP4.12
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide (CID 14208210) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide is O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GGSIMJVXOSAEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3/c25-17-10-4-2-8-15(17)21-16-9-3-5-11-18(16)26-24(30)22(27-21)28-23(29)20-13-14-7-1-6-12-19(14)31-20/h1-13,22H,(H,26,30)(H,28,29).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 14208210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).