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

C11H12BrN3O2 — CID 106111666

IUPAC3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyWXWZKVYWCDYTNH-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds4

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

3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide (PubChem CID 106111666) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
PubChem CID106111666
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyWXWZKVYWCDYTNH-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-(4-cyano-2-nitrophenyl)-2-methoxypropanamide
CID 106112938
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
CID 106111827
ethyl 4-(2-bromo-4-cyanoanilino)-4-oxobutanoate
CID 63118915
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
ethyl 2-(2-bromo-4-cyanoanilino)propanoate
CID 82798391
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
3-[(2-bromo-4-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107792120
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
N-(2-bromo-4-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 60852002
2-[(2-bromo-4-cyanophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107792135

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide (CID 106111666) is 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide?
The InChIKey is WXWZKVYWCDYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-10(6-14)11(16)15-9-3-2-7(5-13)4-8(9)12/h2-4,10H,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide?
3-amino-N-(2-bromo-4-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-(2-bromo-4-cyanophenyl)-2-methoxypropanamide is sourced from PubChem (CID 106111666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).