4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide

C18H16ClN3O2 — CID 31899293

IUPAC4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
SMILESCc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-15(14-4-2-3-5-16(14)20-11)10-17(23)21-22-18(24)12-6-8-13(19)9-7-12/h2-9,20H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZUBVPNZMCIRZBH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide

4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide (PubChem CID 31899293) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
PubChem CID31899293
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
SMILESCc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-15(14-4-2-3-5-16(14)20-11)10-17(23)21-22-18(24)12-6-8-13(19)9-7-12/h2-9,20H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZUBVPNZMCIRZBH-UHFFFAOYSA-N
XLogP3.13
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
4-chloro-N-[(2R)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 52521357
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide (CID 31899293) is 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide is Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The InChIKey is ZUBVPNZMCIRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-15(14-4-2-3-5-16(14)20-11)10-17(23)21-22-18(24)12-6-8-13(19)9-7-12/h2-9,20H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide has a molecular weight of 341.80 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 31899293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).