2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide

C15H15BrN2O2 — CID 82862923

IUPAC2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2cccc(N)c2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-9-12(5-6-13(14)16)18-15(19)8-10-3-2-4-11(17)7-10/h2-7,9H,8,17H2,1H3,(H,18,19)
InChIKeyCRNCORXKPUGHMO-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide

2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide (PubChem CID 82862923) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
PubChem CID82862923
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2cccc(N)c2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-9-12(5-6-13(14)16)18-15(19)8-10-3-2-4-11(17)7-10/h2-7,9H,8,17H2,1H3,(H,18,19)
InChIKeyCRNCORXKPUGHMO-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide (CID 82862923) is 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide is COc1cc(NC(=O)Cc2cccc(N)c2)ccc1Br.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide?
The InChIKey is CRNCORXKPUGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-9-12(5-6-13(14)16)18-15(19)8-10-3-2-4-11(17)7-10/h2-7,9H,8,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide?
2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide has a molecular weight of 335.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide is sourced from PubChem (CID 82862923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).