N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide

C17H19BrN2O — CID 110426047

IUPACN-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N(C)C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-9-10-15(14(18)11-12)19-17(21)16(20(2)3)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21)
InChIKeyVRXVFNMVKOXJCU-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.00
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide

N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide (PubChem CID 110426047) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
PubChem CID110426047
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N(C)C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-9-10-15(14(18)11-12)19-17(21)16(20(2)3)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21)
InChIKeyVRXVFNMVKOXJCU-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
N-(2-bromophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110425843
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)-N'-methyl-N'-phenyloxamide
CID 108521021
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-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide (CID 110426047) is N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide is Cc1ccc(NC(=O)C(c2ccccc2)N(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is VRXVFNMVKOXJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-9-10-15(14(18)11-12)19-17(21)16(20(2)3)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide?
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 347.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 110426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).