N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide

C22H20BrNO3 — CID 19170146

IUPACN-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C22H20BrNO3/c1-26-19-14-18(20(27-2)13-17(19)23)24-22(25)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,24,25)
InChIKeyWOWSCGGXYVDNHU-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.24
Rot. Bonds6

About N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide

N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide (PubChem CID 19170146) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
PubChem CID19170146
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC NameN-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C22H20BrNO3/c1-26-19-14-18(20(27-2)13-17(19)23)24-22(25)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,24,25)
InChIKeyWOWSCGGXYVDNHU-UHFFFAOYSA-N
XLogP5.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19170128
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117
2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
CID 103412044
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide (CID 19170146) is N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide is COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)cc1Br.
What is the InChIKey of N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide?
The InChIKey is WOWSCGGXYVDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-26-19-14-18(20(27-2)13-17(19)23)24-22(25)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,24,25).
What are the key properties of N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide?
N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide has a molecular weight of 426.31 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 19170146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).