N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide

C21H21BrN4O2 — CID 46485047

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H21BrN4O2/c1-15-12-17(22)6-9-19(15)24-20(27)14-25(2)21(28)13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyOIOLJTBOBFNYHR-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 46485047) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID46485047
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H21BrN4O2/c1-15-12-17(22)6-9-19(15)24-20(27)14-25(2)21(28)13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyOIOLJTBOBFNYHR-UHFFFAOYSA-N
XLogP3.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)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

N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 9508334
N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}-2,2-Dimethylpropanamide
CID 86208109
2-(6-bromo-2H-indazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 126601409
N-[(E)-1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 2131991
N-methyl-N-phenyl-2-(4-pyrazol-1-ylphenyl)acetamide
CID 45893305
2-(dimethylamino)-2-(3-fluorophenyl)-N-{[1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}acetamide
CID 72837815
3-[3-(4-aminophenyl)-1-(4-bromophenyl)pyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164621238
3-Bromo-N-(2-(2-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)hydrazino)-2-oxoethyl)benzamide
CID 51060875
N-(4-bromophenyl)(4-pyrazolylphenyl)carboxamide
CID 2987881
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)benzyl]acetamide
CID 50985161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide (CID 46485047) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is OIOLJTBOBFNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-15-12-17(22)6-9-19(15)24-20(27)14-25(2)21(28)13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 441.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46485047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).