N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

C17H16BrClN2O2 — CID 113000562

IUPACN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-11-2-7-15(14(18)8-11)21-17(23)10-20-16(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJAKRAGKMAJPSFJ-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.71
Rot. Bonds5

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

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113000562) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113000562
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-11-2-7-15(14(18)8-11)21-17(23)10-20-16(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJAKRAGKMAJPSFJ-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

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
CID 113001347

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (CID 113000562) is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is JAKRAGKMAJPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-2-7-15(14(18)8-11)21-17(23)10-20-16(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)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 N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113000562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).