2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide

C16H25BrN2O — CID 107573469

IUPAC2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2O/c1-6-13(7-2)19-16(20)12(5)18-14-8-10(3)15(17)11(4)9-14/h8-9,12-13,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyUJHOFKILYNFOHL-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide

2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide (PubChem CID 107573469) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
PubChem CID107573469
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2O/c1-6-13(7-2)19-16(20)12(5)18-14-8-10(3)15(17)11(4)9-14/h8-9,12-13,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyUJHOFKILYNFOHL-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
CID 104937935
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-[4-(cyanomethyl)anilino]-N-pentan-3-ylpropanamide
CID 60721067
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
CID 107574214

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide (CID 107573469) is 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide?
The InChIKey is UJHOFKILYNFOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-6-13(7-2)19-16(20)12(5)18-14-8-10(3)15(17)11(4)9-14/h8-9,12-13,18H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide?
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide has a molecular weight of 341.29 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107573469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).