N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide

C14H16ClN5O3 — CID 135738262

IUPACN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
SMILESCCn1c(O)c(/N=N/C(=O)CCC(=O)NN)c2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5O3/c1-2-20-10-4-3-8(15)7-9(10)13(14(20)23)19-18-12(22)6-5-11(21)17-16/h3-4,7,23H,2,5-6,16H2,1H3,(H,17,21)/b19-18+
InChIKeyNCDXMJNDTMVFNW-VHEBQXMUSA-N
MW337.77 g/mol
LogP2.40
Rot. Bonds5

About N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide

N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide (PubChem CID 135738262) has the molecular formula C14H16ClN5O3 and a molecular weight of 337.77 g/mol. Its IUPAC name is N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
PubChem CID135738262
Molecular FormulaC14H16ClN5O3
Molecular Weight337.77 g/mol
Exact Mass337.09
IUPAC NameN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
SMILESCCn1c(O)c(/N=N/C(=O)CCC(=O)NN)c2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5O3/c1-2-20-10-4-3-8(15)7-9(10)13(14(20)23)19-18-12(22)6-5-11(21)17-16/h3-4,7,23H,2,5-6,16H2,1H3,(H,17,21)/b19-18+
InChIKeyNCDXMJNDTMVFNW-VHEBQXMUSA-N
XLogP2.40
TPSA122.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(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
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
CID 2295445
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
CID 4500392
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide (CID 135738262) is N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide is CCn1c(O)c(/N=N/C(=O)CCC(=O)NN)c2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide?
The InChIKey is NCDXMJNDTMVFNW-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H16ClN5O3/c1-2-20-10-4-3-8(15)7-9(10)13(14(20)23)19-18-12(22)6-5-11(21)17-16/h3-4,7,23H,2,5-6,16H2,1H3,(H,17,21)/b19-18+.
What are the key properties of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide?
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide has a molecular weight of 337.77 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 135738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).