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

C11H14BrN3O3 — CID 79768002

IUPACN-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14BrN3O3/c1-11(2,13-3)10(16)14-7-4-5-8(12)9(6-7)15(17)18/h4-6,13H,1-3H3,(H,14,16)
InChIKeyBYEGVEVMLIAOAQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.29
Rot. Bonds4

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

N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 79768002) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID79768002
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC NameN-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14BrN3O3/c1-11(2,13-3)10(16)14-7-4-5-8(12)9(6-7)15(17)18/h4-6,13H,1-3H3,(H,14,16)
InChIKeyBYEGVEVMLIAOAQ-UHFFFAOYSA-N
XLogP2.29
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
3-(4-bromo-3-nitroanilino)-2,2-dimethylpropan-1-ol
CID 81410959
N-(4-bromo-3-nitrophenyl)-2-chloropropanamide
CID 79768319
propan-2-yl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656691
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(4-bromo-3-nitrophenyl)-2-ethoxyacetamide
CID 79767714
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
N-(4-bromo-3-nitrophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619255
N'-(4-bromo-3-nitrophenyl)-N-(cyanomethyl)oxamide
CID 79767470

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide (CID 79768002) is N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is BYEGVEVMLIAOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-11(2,13-3)10(16)14-7-4-5-8(12)9(6-7)15(17)18/h4-6,13H,1-3H3,(H,14,16).
What are the key properties of N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 316.16 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 79768002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).