N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide

C17H14ClN3O2 — CID 9206903

IUPACN'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)17(23)20-19-16(22)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,22)(H,20,23)
InChIKeyURKDYKXGERXOCO-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.91
Rot. Bonds2

About N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide

N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide (PubChem CID 9206903) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
PubChem CID9206903
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)17(23)20-19-16(22)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,22)(H,20,23)
InChIKeyURKDYKXGERXOCO-UHFFFAOYSA-N
XLogP2.91
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.91
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'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
CID 40717451
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
CID 27658436
N-tert-butyl-2-chloro-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 31737799
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 55556337
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
CID 7594196
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide (CID 9206903) is N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide?
The InChIKey is URKDYKXGERXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)17(23)20-19-16(22)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide?
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide has a molecular weight of 327.77 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 9206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).