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

C19H19ClN2O2 — CID 113086116

IUPAC2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C19H19ClN2O2/c1-12-14(16-11-13(24-2)7-8-18(16)22-12)9-10-21-19(23)15-5-3-4-6-17(15)20/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyXTFVKGSMWIQQSY-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds5

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

2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 113086116) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID113086116
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C19H19ClN2O2/c1-12-14(16-11-13(24-2)7-8-18(16)22-12)9-10-21-19(23)15-5-3-4-6-17(15)20/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyXTFVKGSMWIQQSY-UHFFFAOYSA-N
XLogP4.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 113086116) is 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3Cl)c2c1.
What is the InChIKey of 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is XTFVKGSMWIQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-14(16-11-13(24-2)7-8-18(16)22-12)9-10-21-19(23)15-5-3-4-6-17(15)20/h3-8,11,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 113086116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).