2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide

C13H18BrNO — CID 114328563

IUPAC2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)(C)Br)cc1
InChIInChI=1S/C13H18BrNO/c1-5-10-6-8-11(9-7-10)15(4)12(16)13(2,3)14/h6-9H,5H2,1-4H3
InChIKeyODNFNUXFTQAHGL-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide

2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide (PubChem CID 114328563) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
PubChem CID114328563
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)(C)Br)cc1
InChIInChI=1S/C13H18BrNO/c1-5-10-6-8-11(9-7-10)15(4)12(16)13(2,3)14/h6-9H,5H2,1-4H3
InChIKeyODNFNUXFTQAHGL-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-bromo-2-methylpropanoyl)-methylamino]benzoate
CID 101065889
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
CID 62001882
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62003824
3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175310
1-(4-ethylphenyl)-1,2-dimethylguanidine
CID 62358606
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide (CID 114328563) is 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide is CCc1ccc(N(C)C(=O)C(C)(C)Br)cc1.
What is the InChIKey of 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide?
The InChIKey is ODNFNUXFTQAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-5-10-6-8-11(9-7-10)15(4)12(16)13(2,3)14/h6-9H,5H2,1-4H3.
What are the key properties of 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide?
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide has a molecular weight of 284.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 114328563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).