2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide

C13H17BrN2O — CID 43087897

IUPAC2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H17BrN2O/c1-4-7-15-13(17)10(3)16-12-6-5-11(14)8-9(12)2/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyMBNWHFICKQNOQX-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide

2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide (PubChem CID 43087897) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
PubChem CID43087897
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H17BrN2O/c1-4-7-15-13(17)10(3)16-12-6-5-11(14)8-9(12)2/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyMBNWHFICKQNOQX-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide 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

2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
CID 107634612
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
2-[4-chloro-2-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 43088798
2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
CID 107528240
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
2-(3-chloro-2-fluoroanilino)-N-prop-2-enylpropanamide
CID 43088899
4-bromo-2-methyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629495

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide (CID 43087897) is 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide?
The InChIKey is MBNWHFICKQNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-4-7-15-13(17)10(3)16-12-6-5-11(14)8-9(12)2/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide?
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide has a molecular weight of 297.20 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43087897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).