3-(2,4-dibromoanilino)-N,N-dimethylpropanamide

C11H14Br2N2O — CID 61473010

IUPAC3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQBMRVWAQDACSLO-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.10
Rot. Bonds4

About 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide

3-(2,4-dibromoanilino)-N,N-dimethylpropanamide (PubChem CID 61473010) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
PubChem CID61473010
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQBMRVWAQDACSLO-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
4-(4-bromo-2,3-dichloroanilino)-N,N-dimethylbutanamide
CID 114001735
3-(2-ethylanilino)-N,N-dimethylpropanamide
CID 60961204
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
3-anilino-N,N-dimethylpropanamide
CID 60961994

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide (CID 61473010) is 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide?
The InChIKey is QBMRVWAQDACSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide?
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide has a molecular weight of 350.05 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61473010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).