N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide

C20H24BrN3O2 — CID 42911650

IUPACN-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24BrN3O2/c1-14-11-17(21)9-10-18(14)23-19(25)13-24(3)15(2)20(26)22-12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAKWMIUHADNNZNE-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.33
Rot. Bonds7

About N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide

N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 42911650) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID42911650
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24BrN3O2/c1-14-11-17(21)9-10-18(14)23-19(25)13-24(3)15(2)20(26)22-12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAKWMIUHADNNZNE-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 46646847
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-naphthalen-1-ylpropanamide
CID 17425599
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 51171679
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,5-dimethoxyphenyl)propanamide
CID 25387209
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55351143
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 42911653
N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 51167337
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11938729
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide (CID 42911650) is N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is AKWMIUHADNNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-14-11-17(21)9-10-18(14)23-19(25)13-24(3)15(2)20(26)22-12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide?
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 418.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 42911650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).