N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide

C22H20Cl2N8O5 — CID 135810853

IUPACN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
SMILESCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.NNC(=O)CCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H12ClN5O3.C10H8ClN3O2/c13-6-1-2-8-7(5-6)11(12(21)15-8)18-17-10(20)4-3-9(19)16-14;1-5(15)13-14-9-7-4-6(11)2-3-8(7)12-10(9)16/h1-2,5,15,21H,3-4,14H2,(H,16,19);2-4,12,16H,1H3/b18-17+;14-13+
InChIKeyWCAJWMWVWDZEAB-QAWSCWRSSA-N
MW547.36 g/mol
LogP5.06
Rot. Bonds5

About N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide

N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide (PubChem CID 135810853) has the molecular formula C22H20Cl2N8O5 and a molecular weight of 547.36 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
PubChem CID135810853
Molecular FormulaC22H20Cl2N8O5
Molecular Weight547.36 g/mol
Exact Mass546.09
IUPAC NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
SMILESCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.NNC(=O)CCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H12ClN5O3.C10H8ClN3O2/c13-6-1-2-8-7(5-6)11(12(21)15-8)18-17-10(20)4-3-9(19)16-14;1-5(15)13-14-9-7-4-6(11)2-3-8(7)12-10(9)16/h1-2,5,15,21H,3-4,14H2,(H,16,19);2-4,12,16H,1H3/b18-17+;14-13+
InChIKeyWCAJWMWVWDZEAB-QAWSCWRSSA-N
XLogP5.06
TPSA210.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500547.36
LogP ≤ 55.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
CID 135738262
N'-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659580
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
CID 172640301
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylacetamide
CID 137118543
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 156757094
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
CID 135982620
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide (CID 135810853) is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide is CC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.NNC(=O)CCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide?
The InChIKey is WCAJWMWVWDZEAB-QAWSCWRSSA-N. The full InChI is InChI=1S/C12H12ClN5O3.C10H8ClN3O2/c13-6-1-2-8-7(5-6)11(12(21)15-8)18-17-10(20)4-3-9(19)16-14;1-5(15)13-14-9-7-4-6(11)2-3-8(7)12-10(9)16/h1-2,5,15,21H,3-4,14H2,(H,16,19);2-4,12,16H,1H3/b18-17+;14-13+.
What are the key properties of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide?
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide has a molecular weight of 547.36 g/mol, XLogP of 5.06, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 135810853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).