2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide

C17H16BrClN2O2 — CID 112998184

IUPAC2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-5-6-14(9-15(11)19)21-17(23)10-20-16(22)8-12-3-2-4-13(18)7-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAGHOGYCVEANZFA-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 112998184) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
PubChem CID112998184
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-5-6-14(9-15(11)19)21-17(23)10-20-16(22)8-12-3-2-4-13(18)7-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAGHOGYCVEANZFA-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-N-[2-(3-chloro-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

N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
CID 108955273
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(3-bromophenyl)acetamide
CID 113000628
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
CID 100700181
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide (CID 112998184) is 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is AGHOGYCVEANZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-5-6-14(9-15(11)19)21-17(23)10-20-16(22)8-12-3-2-4-13(18)7-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 395.68 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112998184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).