2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide

C17H18BrN3O3 — CID 110515083

IUPAC2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(/C=N\NC(=O)Cc2ccc(N)cc2)c1OC
InChIInChI=1S/C17H18BrN3O3/c1-23-15-9-13(18)8-12(17(15)24-2)10-20-21-16(22)7-11-3-5-14(19)6-4-11/h3-6,8-10H,7,19H2,1-2H3,(H,21,22)/b20-10-
InChIKeyPQZQOWRNCMCDPU-JMIUGGIZSA-N
MW392.25 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 110515083) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID110515083
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(/C=N\NC(=O)Cc2ccc(N)cc2)c1OC
InChIInChI=1S/C17H18BrN3O3/c1-23-15-9-13(18)8-12(17(15)24-2)10-20-21-16(22)7-11-3-5-14(19)6-4-11/h3-6,8-10H,7,19H2,1-2H3,(H,21,22)/b20-10-
InChIKeyPQZQOWRNCMCDPU-JMIUGGIZSA-N
XLogP2.74
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515468
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579470
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367316
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 92699107
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110509319
2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
CID 110515152
N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 137077195
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136800675

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide (CID 110515083) is 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide is COc1cc(Br)cc(/C=N\NC(=O)Cc2ccc(N)cc2)c1OC.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is PQZQOWRNCMCDPU-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-23-15-9-13(18)8-12(17(15)24-2)10-20-21-16(22)7-11-3-5-14(19)6-4-11/h3-6,8-10H,7,19H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 392.25 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).