N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C19H20BrNO3 — CID 8864015

IUPACN-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H20BrNO3/c1-12-9-14(20)7-8-15(12)21-17(22)11-23-16-6-4-5-13-10-19(2,3)24-18(13)16/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyLFJKYHBFDLHBKU-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.49
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 8864015) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID8864015
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H20BrNO3/c1-12-9-14(20)7-8-15(12)21-17(22)11-23-16-6-4-5-13-10-19(2,3)24-18(13)16/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyLFJKYHBFDLHBKU-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 29349984
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855779
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
N-(2,3-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864084
N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 175043375
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9439041
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 8864015) is N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is Cc1cc(Br)ccc1NC(=O)COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is LFJKYHBFDLHBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-12-9-14(20)7-8-15(12)21-17(22)11-23-16-6-4-5-13-10-19(2,3)24-18(13)16/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 8864015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).