2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

C19H20ClN3O2 — CID 10832199

IUPAC2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-12-15(10-19(24)22-21)16-9-14(25-2)7-8-18(16)23(12)11-13-5-3-4-6-17(13)20/h3-9H,10-11,21H2,1-2H3,(H,22,24)
InChIKeyLJPLDNPTSAORDL-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (PubChem CID 10832199) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
PubChem CID10832199
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-12-15(10-19(24)22-21)16-9-14(25-2)7-8-18(16)23(12)11-13-5-3-4-6-17(13)20/h3-9H,10-11,21H2,1-2H3,(H,22,24)
InChIKeyLJPLDNPTSAORDL-UHFFFAOYSA-N
XLogP3.19
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10712051
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
2-[1-[[2-[7-[2-[[3-(2-amino-2-oxoethyl)-5-methoxy-2-methylindol-1-yl]methyl]phenoxy]heptoxy]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 24860466
2-[1-[[2-[9-[2-[[3-(2-amino-2-oxoethyl)-5-methoxy-2-methylindol-1-yl]methyl]phenoxy]nonoxy]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 24860468
methyl 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 154279284
ethyl 1-benzyl-3-(2-hydrazinyl-2-oxoethyl)-2-methylindole-5-carboxylate
CID 142656903
methyl 2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 54300597
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
CID 15837961
2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 21449397
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87775141
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (CID 10832199) is 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1Cl.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The InChIKey is LJPLDNPTSAORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12-15(10-19(24)22-21)16-9-14(25-2)7-8-18(16)23(12)11-13-5-3-4-6-17(13)20/h3-9H,10-11,21H2,1-2H3,(H,22,24).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide has a molecular weight of 357.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is sourced from PubChem (CID 10832199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).