2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C17H17BrN2O2 — CID 112996188

IUPAC2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-2-8-15(9-3-12)20-17(22)11-19-16(21)10-13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZZZISMLBFAHRE-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 112996188) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID112996188
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-2-8-15(9-3-12)20-17(22)11-19-16(21)10-13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZZZISMLBFAHRE-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 112996188) is 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is DZZZISMLBFAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-2-8-15(9-3-12)20-17(22)11-19-16(21)10-13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112996188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).