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

C24H20N4O2 — CID 14208212

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)C1Cc2ccccc2N1
InChIInChI=1S/C24H20N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-13,20,22,25H,14H2,(H,26,30)(H,28,29)
InChIKeyOAJOQLLFRSQRTN-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.96
Rot. Bonds3

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

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 14208212) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID14208212
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)C1Cc2ccccc2N1
InChIInChI=1S/C24H20N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-13,20,22,25H,14H2,(H,26,30)(H,28,29)
InChIKeyOAJOQLLFRSQRTN-UHFFFAOYSA-N
XLogP2.96
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 14208212) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)C1Cc2ccccc2N1.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is OAJOQLLFRSQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-13,20,22,25H,14H2,(H,26,30)(H,28,29).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 14208212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).