N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide

C12H17BrN2O — CID 62834851

IUPACN-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H17BrN2O/c1-8-7-9(5-6-10(8)13)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyHFWKVKNDKDLPKY-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.69
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide

N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62834851) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62834851
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H17BrN2O/c1-8-7-9(5-6-10(8)13)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyHFWKVKNDKDLPKY-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 79768002
N-(3-iodo-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834513
2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 63654554
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
CID 62488915
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
2-methyl-2-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115165612
N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 113197625
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide (CID 62834851) is N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is HFWKVKNDKDLPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-7-9(5-6-10(8)13)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide?
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 285.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62834851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).