N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide

C20H20BrN3O4 — CID 26420177

IUPACN'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc(Br)c1OC
InChIInChI=1S/C20H20BrN3O4/c1-4-28-17-10-12(9-15(21)18(17)27-3)19(25)22-23-20(26)14-11-24(2)16-8-6-5-7-13(14)16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVERARGHZZHGKKE-UHFFFAOYSA-N
MW446.30 g/mol
LogP3.42
Rot. Bonds5

About N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide

N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide (PubChem CID 26420177) has the molecular formula C20H20BrN3O4 and a molecular weight of 446.30 g/mol. Its IUPAC name is N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide
PubChem CID26420177
Molecular FormulaC20H20BrN3O4
Molecular Weight446.30 g/mol
Exact Mass445.06
IUPAC NameN'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc(Br)c1OC
InChIInChI=1S/C20H20BrN3O4/c1-4-28-17-10-12(9-15(21)18(17)27-3)19(25)22-23-20(26)14-11-24(2)16-8-6-5-7-13(14)16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVERARGHZZHGKKE-UHFFFAOYSA-N
XLogP3.42
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
CID 55792056
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide
CID 25392821
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide
CID 17458410
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
CID 26369530
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide (CID 26420177) is N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc(Br)c1OC.
What is the InChIKey of N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide?
The InChIKey is VERARGHZZHGKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4/c1-4-28-17-10-12(9-15(21)18(17)27-3)19(25)22-23-20(26)14-11-24(2)16-8-6-5-7-13(14)16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide?
N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide has a molecular weight of 446.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 26420177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).