3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide

C11H12BrN3O2 — CID 106113476

IUPAC3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-8(12)4-7(9)5-13/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyPIYZOJUWRVARBU-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds4

About 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide

3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide (PubChem CID 106113476) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
PubChem CID106113476
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-8(12)4-7(9)5-13/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyPIYZOJUWRVARBU-UHFFFAOYSA-N
XLogP1.23
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
CID 106111666
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
3-amino-N-(4-cyano-2-nitrophenyl)-2-methoxypropanamide
CID 106112938
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
2-(4-bromo-2-cyanoanilino)-3-methoxypropanoic acid
CID 114890227
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide (CID 106113476) is 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide?
The InChIKey is PIYZOJUWRVARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-8(12)4-7(9)5-13/h2-4,10H,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide?
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide has a molecular weight of 298.14 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide is sourced from PubChem (CID 106113476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).