N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide

C12H13BrN4O — CID 43376146

IUPACN-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H13BrN4O/c1-8-15-4-5-17(8)7-12(18)16-11-3-2-9(14)6-10(11)13/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyLNOQSQYDUMNZLA-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.17
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 43376146) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
PubChem CID43376146
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC NameN-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H13BrN4O/c1-8-15-4-5-17(8)7-12(18)16-11-3-2-9(14)6-10(11)13/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyLNOQSQYDUMNZLA-UHFFFAOYSA-N
XLogP2.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376194
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309265
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
N-(4-amino-2-bromophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 62951789
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(4-amino-2-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 43575163
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide (CID 43376146) is N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is LNOQSQYDUMNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8-15-4-5-17(8)7-12(18)16-11-3-2-9(14)6-10(11)13/h2-6H,7,14H2,1H3,(H,16,18).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 309.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 43376146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).