5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide

C23H20ClN3O2 — CID 10644998

IUPAC5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide
SMILESCc1ccc(O)c(CNNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O2/c1-14-7-10-20(28)16(11-14)13-25-27-23(29)22-21(15-5-3-2-4-6-15)18-12-17(24)8-9-19(18)26-22/h2-12,25-26,28H,13H2,1H3,(H,27,29)
InChIKeyZJJOUBXXSDLMNA-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.94
Rot. Bonds5

About 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide

5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide (PubChem CID 10644998) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide
PubChem CID10644998
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide
SMILESCc1ccc(O)c(CNNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O2/c1-14-7-10-20(28)16(11-14)13-25-27-23(29)22-21(15-5-3-2-4-6-15)18-12-17(24)8-9-19(18)26-22/h2-12,25-26,28H,13H2,1H3,(H,27,29)
InChIKeyZJJOUBXXSDLMNA-UHFFFAOYSA-N
XLogP4.94
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide
CID 10719211
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
[(5-chloro-2-hydroxyphenyl)methylamino]carbamic acid
CID 123714049
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
CID 56882195
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402435
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
CID 70764541
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400367
N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
CID 3025820
N-[(E)-(4-butoxyphenyl)methylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 6878086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide (CID 10644998) is 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide is Cc1ccc(O)c(CNNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1.
What is the InChIKey of 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide?
The InChIKey is ZJJOUBXXSDLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-14-7-10-20(28)16(11-14)13-25-27-23(29)22-21(15-5-3-2-4-6-15)18-12-17(24)8-9-19(18)26-22/h2-12,25-26,28H,13H2,1H3,(H,27,29).
What are the key properties of 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide?
5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide has a molecular weight of 405.89 g/mol, XLogP of 4.94, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 10644998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).