N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

C19H19BrN2O2 — CID 9291515

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19BrN2O2/c1-22(12-14-9-15(20)7-8-18(14)24-2)19(23)10-13-11-21-17-6-4-3-5-16(13)17/h3-9,11,21H,10,12H2,1-2H3
InChIKeyLVROIQNKQVOKLU-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.14
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 9291515) 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-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID9291515
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19BrN2O2/c1-22(12-14-9-15(20)7-8-18(14)24-2)19(23)10-13-11-21-17-6-4-3-5-16(13)17/h3-9,11,21H,10,12H2,1-2H3
InChIKeyLVROIQNKQVOKLU-UHFFFAOYSA-N
XLogP4.14
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 9291515) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is COc1ccc(Br)cc1CN(C)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is LVROIQNKQVOKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-22(12-14-9-15(20)7-8-18(14)24-2)19(23)10-13-11-21-17-6-4-3-5-16(13)17/h3-9,11,21H,10,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 387.28 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 9291515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).