N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide

C20H22ClN3O2 — CID 70337838

IUPACN-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide
SMILESCCc1[nH]c2ccc(OC)cc2c1CC(=O)N(N)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-3-18-17(16-10-15(26-2)7-8-19(16)23-18)11-20(25)24(22)12-13-5-4-6-14(21)9-13/h4-10,23H,3,11-12,22H2,1-2H3
InChIKeyFTNFSOPDSHGXRD-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.84
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide

N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide (PubChem CID 70337838) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide
PubChem CID70337838
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide
SMILESCCc1[nH]c2ccc(OC)cc2c1CC(=O)N(N)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-3-18-17(16-10-15(26-2)7-8-19(16)23-18)11-20(25)24(22)12-13-5-4-6-14(21)9-13/h4-10,23H,3,11-12,22H2,1-2H3
InChIKeyFTNFSOPDSHGXRD-UHFFFAOYSA-N
XLogP3.84
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone
CID 156906964
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1242780
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide (CID 70337838) is N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide is CCc1[nH]c2ccc(OC)cc2c1CC(=O)N(N)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide?
The InChIKey is FTNFSOPDSHGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-3-18-17(16-10-15(26-2)7-8-19(16)23-18)11-20(25)24(22)12-13-5-4-6-14(21)9-13/h4-10,23H,3,11-12,22H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide?
N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide has a molecular weight of 371.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 70337838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).