3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide

C13H19BrN2O — CID 62324200

IUPAC3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H19BrN2O/c1-4-15-12(17)5-6-16-13-9(2)7-11(14)8-10(13)3/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyBYIVRMKHIOHUPD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide

3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide (PubChem CID 62324200) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
PubChem CID62324200
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H19BrN2O/c1-4-15-12(17)5-6-16-13-9(2)7-11(14)8-10(13)3/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyBYIVRMKHIOHUPD-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
CID 115564289
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 83133302
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide?
The IUPAC name of 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide (CID 62324200) is 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide is CCNC(=O)CCNc1c(C)cc(Br)cc1C.
What is the InChIKey of 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide?
The InChIKey is BYIVRMKHIOHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-15-12(17)5-6-16-13-9(2)7-11(14)8-10(13)3/h7-8,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide?
3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide is sourced from PubChem (CID 62324200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).