4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide

C21H19N3O3 — CID 46663425

IUPAC4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNC(=O)c3oc4ccccc4c3C)[nH]c2c1
InChIInChI=1S/C21H19N3O3/c1-11-8-12(2)15-10-17(22-16(15)9-11)20(25)23-24-21(26)19-13(3)14-6-4-5-7-18(14)27-19/h4-10,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyNWCBCFZGCOOCMC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.91
Rot. Bonds2

About 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide

4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide (PubChem CID 46663425) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide
PubChem CID46663425
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNC(=O)c3oc4ccccc4c3C)[nH]c2c1
InChIInChI=1S/C21H19N3O3/c1-11-8-12(2)15-10-17(22-16(15)9-11)20(25)23-24-21(26)19-13(3)14-6-4-5-7-18(14)27-19/h4-10,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyNWCBCFZGCOOCMC-UHFFFAOYSA-N
XLogP3.91
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
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-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 35932108
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
1-(3,5-dimethylphenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8001022
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide?
The IUPAC name of 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide (CID 46663425) is 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide is Cc1cc(C)c2cc(C(=O)NNC(=O)c3oc4ccccc4c3C)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide?
The InChIKey is NWCBCFZGCOOCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-11-8-12(2)15-10-17(22-16(15)9-11)20(25)23-24-21(26)19-13(3)14-6-4-5-7-18(14)27-19/h4-10,22H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide?
4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide has a molecular weight of 361.40 g/mol, XLogP of 3.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 46663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).