2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

C21H26BrN3O2 — CID 112799144

IUPAC2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C21H26BrN3O2/c1-5-16-8-6-7-9-19(16)24-20(26)13-25(4)21(27)15(3)23-17-10-11-18(22)14(2)12-17/h6-12,15,23H,5,13H2,1-4H3,(H,24,26)
InChIKeyUABGLJHJZRQWKC-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 112799144) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID112799144
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C21H26BrN3O2/c1-5-16-8-6-7-9-19(16)24-20(26)13-25(4)21(27)15(3)23-17-10-11-18(22)14(2)12-17/h6-12,15,23H,5,13H2,1-4H3,(H,24,26)
InChIKeyUABGLJHJZRQWKC-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-propylanilino)propanamide
CID 112799196
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 112799212
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112798745
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 71856374

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 112799144) is 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is UABGLJHJZRQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-5-16-8-6-7-9-19(16)24-20(26)13-25(4)21(27)15(3)23-17-10-11-18(22)14(2)12-17/h6-12,15,23H,5,13H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 432.36 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 112799144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).