N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide

C19H19N3O2 — CID 55876077

IUPACN'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)18(23)20-21-19(24)17-12-15-6-4-5-7-16(15)22(17)2/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyROZDKZPYXMEWCR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.82
Rot. Bonds3

About N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide

N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide (PubChem CID 55876077) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
PubChem CID55876077
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)18(23)20-21-19(24)17-12-15-6-4-5-7-16(15)22(17)2/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyROZDKZPYXMEWCR-UHFFFAOYSA-N
XLogP2.82
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
CID 10782216
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
CID 58417437
N-(2-ethyl-6-methylphenyl)-1-methylindole-2-carboxamide
CID 113207081
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
methyl 1-methylindole-2-carboperoxoate
CID 140791750
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
phenyl 1-methylindole-2-carboxylate
CID 47299897
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide (CID 55876077) is N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cc3ccccc3n2C)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide?
The InChIKey is ROZDKZPYXMEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)18(23)20-21-19(24)17-12-15-6-4-5-7-16(15)22(17)2/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide?
N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide is sourced from PubChem (CID 55876077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).