2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide

C18H21BrN2O3 — CID 119745056

IUPAC2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(NC(=O)Cc2ccc(N)cc2)cc1OCC
InChIInChI=1S/C18H21BrN2O3/c1-3-23-16-10-14(19)15(11-17(16)24-4-2)21-18(22)9-12-5-7-13(20)8-6-12/h5-8,10-11H,3-4,9,20H2,1-2H3,(H,21,22)
InChIKeyOJSXMJPOKHDNPS-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.01
Rot. Bonds7

About 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide

2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide (PubChem CID 119745056) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
PubChem CID119745056
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(NC(=O)Cc2ccc(N)cc2)cc1OCC
InChIInChI=1S/C18H21BrN2O3/c1-3-23-16-10-14(19)15(11-17(16)24-4-2)21-18(22)9-12-5-7-13(20)8-6-12/h5-8,10-11H,3-4,9,20H2,1-2H3,(H,21,22)
InChIKeyOJSXMJPOKHDNPS-UHFFFAOYSA-N
XLogP4.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride
CID 120561096
N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
CID 852877
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
CID 110515152
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide (CID 119745056) is 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide is CCOc1cc(Br)c(NC(=O)Cc2ccc(N)cc2)cc1OCC.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide?
The InChIKey is OJSXMJPOKHDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-3-23-16-10-14(19)15(11-17(16)24-4-2)21-18(22)9-12-5-7-13(20)8-6-12/h5-8,10-11H,3-4,9,20H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide?
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 119745056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).