3-(4-bromo-3-methoxyanilino)-2-methylpropanamide

C11H15BrN2O2 — CID 82867694

IUPAC3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
SMILESCOc1cc(NCC(C)C(N)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-7(11(13)15)6-14-8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyRGKLHAOMELGTRX-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.99
Rot. Bonds5

About 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide

3-(4-bromo-3-methoxyanilino)-2-methylpropanamide (PubChem CID 82867694) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
PubChem CID82867694
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
SMILESCOc1cc(NCC(C)C(N)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-7(11(13)15)6-14-8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyRGKLHAOMELGTRX-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methoxyanilino)-2-methylpropanoic acid
CID 82867283
3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
CID 82868251
2-acetamido-3-(4-bromo-3-methoxyanilino)propanoic acid
CID 82867449
ethyl 4-(4-bromo-3-methoxyanilino)-3-hydroxybutanoate
CID 103261940
2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide?
The IUPAC name of 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide (CID 82867694) is 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide?
The canonical SMILES for 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide is COc1cc(NCC(C)C(N)=O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide?
The InChIKey is RGKLHAOMELGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(11(13)15)6-14-8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide?
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methoxyanilino)-2-methylpropanamide is sourced from PubChem (CID 82867694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).