N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide

C18H16IN3O3 — CID 17080278

IUPACN'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1I
InChIInChI=1S/C18H16IN3O3/c1-25-16-7-6-13(10-14(16)19)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyNLLJEFDWXHCQIG-UHFFFAOYSA-N
MW449.25 g/mol
LogP2.72
Rot. Bonds4

About N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide

N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide (PubChem CID 17080278) has the molecular formula C18H16IN3O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
PubChem CID17080278
Molecular FormulaC18H16IN3O3
Molecular Weight449.25 g/mol
Exact Mass449.02
IUPAC NameN'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1I
InChIInChI=1S/C18H16IN3O3/c1-25-16-7-6-13(10-14(16)19)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyNLLJEFDWXHCQIG-UHFFFAOYSA-N
XLogP2.72
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435
3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
CID 17080383
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17094705
N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
CID 75404791
5-bromo-N'-(2-indol-1-ylacetyl)-2-propoxybenzohydrazide
CID 17080388
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295

Frequently Asked Questions

What is the IUPAC name of N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide (CID 17080278) is N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1I.
What is the InChIKey of N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide?
The InChIKey is NLLJEFDWXHCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O3/c1-25-16-7-6-13(10-14(16)19)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide?
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide has a molecular weight of 449.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 17080278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).