N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide

C19H19BrN2O2 — CID 15995311

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C19H19BrN2O2/c1-22-12-14(16-5-3-4-6-17(16)22)10-19(23)21-11-13-9-15(20)7-8-18(13)24-2/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLCJXHPMGTVPBER-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.81
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 15995311) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID15995311
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C19H19BrN2O2/c1-22-12-14(16-5-3-4-6-17(16)22)10-19(23)21-11-13-9-15(20)7-8-18(13)24-2/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLCJXHPMGTVPBER-UHFFFAOYSA-N
XLogP3.81
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide (CID 15995311) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide is COc1ccc(Br)cc1CNC(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is LCJXHPMGTVPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-22-12-14(16-5-3-4-6-17(16)22)10-19(23)21-11-13-9-15(20)7-8-18(13)24-2/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 387.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 15995311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).