N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide

C19H19N3O4 — CID 51166893

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-25-13-7-8-15(17(10-13)26-2)19(24)22-21-18(23)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyISIXTGCRSXNONG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.19
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide (PubChem CID 51166893) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
PubChem CID51166893
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-25-13-7-8-15(17(10-13)26-2)19(24)22-21-18(23)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyISIXTGCRSXNONG-UHFFFAOYSA-N
XLogP2.19
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
3-bromo-4-ethoxy-N'-[2-(1H-indol-3-yl)acetyl]-5-methoxybenzohydrazide
CID 39972648
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 9399882
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N'-[2-(1H-indol-3-yl)acetyl]-1,2-dihydroacenaphthylene-5-carbohydrazide
CID 24559782
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide (CID 51166893) is N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide?
The InChIKey is ISIXTGCRSXNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-13-7-8-15(17(10-13)26-2)19(24)22-21-18(23)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide is sourced from PubChem (CID 51166893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).