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

C25H19ClN4O2 — CID 70002816

IUPAC5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O2/c1-30-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-14-16-13-17(26)11-12-19(16)27-20/h2-14,23,27H,1H3,(H,29,31)
InChIKeyNEUAMTOKRCJFPT-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.39
Rot. Bonds3

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

5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (PubChem CID 70002816) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
PubChem CID70002816
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O2/c1-30-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-14-16-13-17(26)11-12-19(16)27-20/h2-14,23,27H,1H3,(H,29,31)
InChIKeyNEUAMTOKRCJFPT-UHFFFAOYSA-N
XLogP4.39
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (CID 70002816) is 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is NEUAMTOKRCJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-30-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-14-16-13-17(26)11-12-19(16)27-20/h2-14,23,27H,1H3,(H,29,31).
What are the key properties of 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).