1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide

C18H16ClN3O2 — CID 91690321

IUPAC1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-17(18(24)21-20)14-4-2-3-5-15(14)22(11)16(23)10-12-6-8-13(19)9-7-12/h2-9H,10,20H2,1H3,(H,21,24)
InChIKeyTVKCDEOFIWPZJT-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide

1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide (PubChem CID 91690321) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide
PubChem CID91690321
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-17(18(24)21-20)14-4-2-3-5-15(14)22(11)16(23)10-12-6-8-13(19)9-7-12/h2-9H,10,20H2,1H3,(H,21,24)
InChIKeyTVKCDEOFIWPZJT-UHFFFAOYSA-N
XLogP3.09
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide
CID 91690777
2-methyl-1-[2-(4-nitrophenyl)acetyl]indole-3-carboxylic acid
CID 91690300
2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817526
2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
CID 99971684
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
CID 91690132
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
ethyl 2-methyl-1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243178
methyl 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylate
CID 99968904
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide?
The IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide (CID 91690321) is 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide?
The canonical SMILES for 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide?
The InChIKey is TVKCDEOFIWPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-17(18(24)21-20)14-4-2-3-5-15(14)22(11)16(23)10-12-6-8-13(19)9-7-12/h2-9H,10,20H2,1H3,(H,21,24).
What are the key properties of 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide?
1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide has a molecular weight of 341.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide is sourced from PubChem (CID 91690321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).