N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide

C18H19BrN2O2 — CID 40713724

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13-7-9-14(10-8-13)11-18(23)21(2)12-17(22)20-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyXYBPHEKFCLROOX-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide (PubChem CID 40713724) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
PubChem CID40713724
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13-7-9-14(10-8-13)11-18(23)21(2)12-17(22)20-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyXYBPHEKFCLROOX-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 27801085
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide (CID 40713724) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The InChIKey is XYBPHEKFCLROOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-13-7-9-14(10-8-13)11-18(23)21(2)12-17(22)20-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 40713724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).