N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide

C19H15N3O3 — CID 40717335

IUPACN'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C19H15N3O3/c1-22-11-14(13-7-3-4-8-15(13)22)18(23)20-21-19(24)17-10-12-6-2-5-9-16(12)25-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyXQRZJALMIBHPKH-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.00
Rot. Bonds2

About N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide

N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide (PubChem CID 40717335) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
PubChem CID40717335
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C19H15N3O3/c1-22-11-14(13-7-3-4-8-15(13)22)18(23)20-21-19(24)17-10-12-6-2-5-9-16(12)25-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyXQRZJALMIBHPKH-UHFFFAOYSA-N
XLogP3.00
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(1-methylindole-3-carbonyl)amino]urea
CID 25345057
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide (CID 40717335) is N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc21.
What is the InChIKey of N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide?
The InChIKey is XQRZJALMIBHPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-22-11-14(13-7-3-4-8-15(13)22)18(23)20-21-19(24)17-10-12-6-2-5-9-16(12)25-17/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide?
N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide has a molecular weight of 333.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 40717335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).