2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

C18H17BrN2O3 — CID 42537123

IUPAC2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-16-6-4-14(10-17(16)24-2)20-18(22)11-21-8-7-12-9-13(19)3-5-15(12)21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyQIKBDCXBSWROAP-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.06
Rot. Bonds5

About 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 42537123) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID42537123
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-16-6-4-14(10-17(16)24-2)20-18(22)11-21-8-7-12-9-13(19)3-5-15(12)21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyQIKBDCXBSWROAP-UHFFFAOYSA-N
XLogP4.06
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 42537123) is 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1OC.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QIKBDCXBSWROAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-23-16-6-4-14(10-17(16)24-2)20-18(22)11-21-8-7-12-9-13(19)3-5-15(12)21/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 389.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 42537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).