N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide

C25H19FN4O2 — CID 57339631

IUPACN-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C25H19FN4O2/c1-30-21-12-11-17(26)14-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-13-16-9-5-6-10-19(16)27-20/h2-14,23,27H,1H3,(H,29,31)
InChIKeyHZXGHEHESXKHQA-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.88
Rot. Bonds3

About N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide

N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (PubChem CID 57339631) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
PubChem CID57339631
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC NameN-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C25H19FN4O2/c1-30-21-12-11-17(26)14-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-13-16-9-5-6-10-19(16)27-20/h2-14,23,27H,1H3,(H,29,31)
InChIKeyHZXGHEHESXKHQA-UHFFFAOYSA-N
XLogP3.88
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (CID 57339631) is N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is HZXGHEHESXKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c1-30-21-12-11-17(26)14-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-13-16-9-5-6-10-19(16)27-20/h2-14,23,27H,1H3,(H,29,31).
What are the key properties of N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 57339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).