2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide

C12H16BrNO2 — CID 11460343

IUPAC2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(N(C)C(=O)C(C)Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-4-16-11-7-5-10(6-8-11)14(3)12(15)9(2)13/h5-9H,4H2,1-3H3
InChIKeyQCVAKJKFNJSOLO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.83
Rot. Bonds4

About 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide

2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide (PubChem CID 11460343) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
PubChem CID11460343
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(N(C)C(=O)C(C)Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-4-16-11-7-5-10(6-8-11)14(3)12(15)9(2)13/h5-9H,4H2,1-3H3
InChIKeyQCVAKJKFNJSOLO-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide 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-bromo-N-(4-ethoxyphenyl)-N-methyl-3-oxopropanamide
CID 19966500
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
CID 14665
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
CID 71930249
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 102127116
N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
4-ethoxy-N,N-dimethylaniline
CID 3624890
O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
CID 19832441
2-[(4-ethoxy-N-methylanilino)methyl]-3-methylbutanoic acid
CID 115250265

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide (CID 11460343) is 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide is CCOc1ccc(N(C)C(=O)C(C)Br)cc1.
What is the InChIKey of 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide?
The InChIKey is QCVAKJKFNJSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-16-11-7-5-10(6-8-11)14(3)12(15)9(2)13/h5-9H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide?
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 11460343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).