N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide

C25H20N4O4 — CID 156901829

IUPACN-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide
SMILESCc1ccc2c(c1)c(-c1[nH]c3ccccc3c1N=O)c(O)n2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H20N4O4/c1-14-6-11-20-18(12-14)21(23-22(27-32)17-4-2-3-5-19(17)26-23)25(31)29(20)13-15-7-9-16(10-8-15)24(30)28-33/h2-12,26,31,33H,13H2,1H3,(H,28,30)
InChIKeyCEQDKKRUDVMGNC-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.37
Rot. Bonds5

About N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide

N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide (PubChem CID 156901829) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide
PubChem CID156901829
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide
SMILESCc1ccc2c(c1)c(-c1[nH]c3ccccc3c1N=O)c(O)n2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H20N4O4/c1-14-6-11-20-18(12-14)21(23-22(27-32)17-4-2-3-5-19(17)26-23)25(31)29(20)13-15-7-9-16(10-8-15)24(30)28-33/h2-12,26,31,33H,13H2,1H3,(H,28,30)
InChIKeyCEQDKKRUDVMGNC-UHFFFAOYSA-N
XLogP5.37
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide (CID 156901829) is N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide is Cc1ccc2c(c1)c(-c1[nH]c3ccccc3c1N=O)c(O)n2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide?
The InChIKey is CEQDKKRUDVMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-14-6-11-20-18(12-14)21(23-22(27-32)17-4-2-3-5-19(17)26-23)25(31)29(20)13-15-7-9-16(10-8-15)24(30)28-33/h2-12,26,31,33H,13H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide?
N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide has a molecular weight of 440.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide is sourced from PubChem (CID 156901829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).