2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide

C15H23BrN2O — CID 104937932

IUPAC2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1cc(Br)cc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)5-6-17-15(19)12(4)18-14-8-11(3)7-13(16)9-14/h7-10,12,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyRFPHTQTTZGLYBP-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.72
Rot. Bonds6

About 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide

2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 104937932) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
PubChem CID104937932
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1cc(Br)cc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)5-6-17-15(19)12(4)18-14-8-11(3)7-13(16)9-14/h7-10,12,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyRFPHTQTTZGLYBP-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
CID 104937935
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
methyl 3-(3-bromo-5-methylanilino)butanoate
CID 104938397

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide (CID 104937932) is 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide is Cc1cc(Br)cc(NC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is RFPHTQTTZGLYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)5-6-17-15(19)12(4)18-14-8-11(3)7-13(16)9-14/h7-10,12,18H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide?
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 327.27 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 104937932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).