3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide

C17H13Cl2N3O2 — CID 55666003

IUPAC3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2N3O2/c1-22-13-5-3-2-4-12(13)14(19)15(22)17(24)21-20-16(23)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,20,23)(H,21,24)
InChIKeyWLWVCSLTEXLSNE-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.56
Rot. Bonds2

About 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide

3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide (PubChem CID 55666003) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
PubChem CID55666003
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2N3O2/c1-22-13-5-3-2-4-12(13)14(19)15(22)17(24)21-20-16(23)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,20,23)(H,21,24)
InChIKeyWLWVCSLTEXLSNE-UHFFFAOYSA-N
XLogP3.56
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.56
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'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 71896592
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
3-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290318
methyl (2S)-2-[(3-chloro-1-methylindole-2-carbonyl)amino]-2-(2,5-difluorophenyl)propanoate
CID 95154190
N'-acetyl-4-chlorobenzohydrazide
CID 799230
3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 55665946
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 86822495

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide (CID 55666003) is 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide is Cn1c(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide?
The InChIKey is WLWVCSLTEXLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-22-13-5-3-2-4-12(13)14(19)15(22)17(24)21-20-16(23)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide?
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide has a molecular weight of 362.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide is sourced from PubChem (CID 55666003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).