2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C19H20BrNO3 — CID 9369462

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-23-17-9-14(16(20)11-18(17)24-2)10-19(22)21-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)
InChIKeySHNCDYONPYZFIU-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 9369462) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID9369462
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-23-17-9-14(16(20)11-18(17)24-2)10-19(22)21-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)
InChIKeySHNCDYONPYZFIU-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8876083
2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261034
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 26012367
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871018
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]oxypropanamide
CID 95767292
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014061

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 9369462) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is COc1cc(Br)c(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is SHNCDYONPYZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-17-9-14(16(20)11-18(17)24-2)10-19(22)21-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 9369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).