3-(2-bromo-4-methylanilino)-N-propylpropanamide

C13H19BrN2O — CID 109011445

IUPAC3-(2-bromo-4-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyWGFSNKAPBWDKON-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.09
Rot. Bonds6

About 3-(2-bromo-4-methylanilino)-N-propylpropanamide

3-(2-bromo-4-methylanilino)-N-propylpropanamide (PubChem CID 109011445) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(2-bromo-4-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-4-methylanilino)-N-propylpropanamide
PubChem CID109011445
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-(2-bromo-4-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyWGFSNKAPBWDKON-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 62514840
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
3-(2-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039768
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
CID 79900685
3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 109041057

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylanilino)-N-propylpropanamide?
The IUPAC name of 3-(2-bromo-4-methylanilino)-N-propylpropanamide (CID 109011445) is 3-(2-bromo-4-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(2-bromo-4-methylanilino)-N-propylpropanamide?
The canonical SMILES for 3-(2-bromo-4-methylanilino)-N-propylpropanamide is CCCNC(=O)CCNc1ccc(C)cc1Br.
What is the InChIKey of 3-(2-bromo-4-methylanilino)-N-propylpropanamide?
The InChIKey is WGFSNKAPBWDKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-bromo-4-methylanilino)-N-propylpropanamide?
3-(2-bromo-4-methylanilino)-N-propylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 109011445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).