N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide

C24H19N5O5 — CID 3838454

IUPACN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H19N5O5/c30-20(27-28-22-18-13-17(29(33)34)11-12-19(18)26-24(22)32)14-25-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,26,32H,14H2,(H,25,31)/b28-27+
InChIKeyCPQPRDGMTFPGRB-BYYHNAKLSA-N
MW457.45 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 3838454) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID3838454
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC NameN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H19N5O5/c30-20(27-28-22-18-13-17(29(33)34)11-12-19(18)26-24(22)32)14-25-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,26,32H,14H2,(H,25,31)/b28-27+
InChIKeyCPQPRDGMTFPGRB-BYYHNAKLSA-N
XLogP4.34
TPSA150.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 3838454) is N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is CPQPRDGMTFPGRB-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H19N5O5/c30-20(27-28-22-18-13-17(29(33)34)11-12-19(18)26-24(22)32)14-25-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,26,32H,14H2,(H,25,31)/b28-27+.
What are the key properties of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 457.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3838454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).