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

C19H20BrNO4 — CID 171676594

IUPACN-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2Cc3ccc(Br)cc3C2)cc(OC)c1O
InChIInChI=1S/C19H20BrNO4/c1-24-16-5-11(6-17(25-2)19(16)23)7-18(22)21-15-9-12-3-4-14(20)8-13(12)10-15/h3-6,8,15,23H,7,9-10H2,1-2H3,(H,21,22)
InChIKeyHZDFSJXVSJBGJX-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.00
Rot. Bonds5

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

N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide (PubChem CID 171676594) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide
PubChem CID171676594
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2Cc3ccc(Br)cc3C2)cc(OC)c1O
InChIInChI=1S/C19H20BrNO4/c1-24-16-5-11(6-17(25-2)19(16)23)7-18(22)21-15-9-12-3-4-14(20)8-13(12)10-15/h3-6,8,15,23H,7,9-10H2,1-2H3,(H,21,22)
InChIKeyHZDFSJXVSJBGJX-UHFFFAOYSA-N
XLogP3.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide (CID 171676594) is N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2Cc3ccc(Br)cc3C2)cc(OC)c1O.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide?
The InChIKey is HZDFSJXVSJBGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-24-16-5-11(6-17(25-2)19(16)23)7-18(22)21-15-9-12-3-4-14(20)8-13(12)10-15/h3-6,8,15,23H,7,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide?
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide has a molecular weight of 406.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 171676594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).