N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

C15H23BrClN3O2 — CID 119684867

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-10-7-12(16)5-6-13(10)18-14(20)9-19(4)15(21)11(2)8-17-3;/h5-7,11,17H,8-9H2,1-4H3,(H,18,20);1H
InChIKeyKVGFHVFHOPWTPD-UHFFFAOYSA-N
MW392.73 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119684867) has the molecular formula C15H23BrClN3O2 and a molecular weight of 392.73 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119684867
Molecular FormulaC15H23BrClN3O2
Molecular Weight392.73 g/mol
Exact Mass391.07
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-10-7-12(16)5-6-13(10)18-14(20)9-19(4)15(21)11(2)8-17-3;/h5-7,11,17H,8-9H2,1-4H3,(H,18,20);1H
InChIKeyKVGFHVFHOPWTPD-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 55332635
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide
CID 95771070
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(carbamoylamino)-N-methyl-4-methylsulfanylbutanamide
CID 55332527
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (CID 119684867) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C.Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is KVGFHVFHOPWTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.ClH/c1-10-7-12(16)5-6-13(10)18-14(20)9-19(4)15(21)11(2)8-17-3;/h5-7,11,17H,8-9H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 392.73 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).