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

C15H23BrN2O — CID 43805994

IUPAC2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1ccc(Br)cc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(2)7-8-17-15(19)12(4)18-14-9-13(16)6-5-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyGBXQOOBUNJFZJH-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.72
Rot. Bonds6

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

2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43805994) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
PubChem CID43805994
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1ccc(Br)cc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(2)7-8-17-15(19)12(4)18-14-9-13(16)6-5-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyGBXQOOBUNJFZJH-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-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
2-(2,5-dibromoanilino)-N-prop-2-ynylpropanamide
CID 54955276
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
2-(5-bromo-2-methylanilino)pentanoic acid
CID 83038608
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide (CID 43805994) is 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide is Cc1ccc(Br)cc1NC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is GBXQOOBUNJFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)7-8-17-15(19)12(4)18-14-9-13(16)6-5-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide?
2-(5-bromo-2-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-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43805994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).