N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide

C21H18BrNO — CID 1001609

IUPACN-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrNO/c1-15-12-13-19(18(22)14-15)23-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,24)
InChIKeyQJBUQOJXOYYGHE-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.53
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide

N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide (PubChem CID 1001609) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
PubChem CID1001609
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrNO/c1-15-12-13-19(18(22)14-15)23-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,24)
InChIKeyQJBUQOJXOYYGHE-UHFFFAOYSA-N
XLogP5.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
3-amino-N-(2-bromo-4-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877034
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
N-(2-bromo-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107019806
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide (CID 1001609) is N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide is Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide?
The InChIKey is QJBUQOJXOYYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-15-12-13-19(18(22)14-15)23-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide?
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide has a molecular weight of 380.29 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 1001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).