N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

C17H19BrN2O3 — CID 109005246

IUPACN-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCOc1ccc(OCCNCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-12-17(21)20-14-4-2-13(18)3-5-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyIFDRPSQTYUGFIJ-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.06
Rot. Bonds8

About N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (PubChem CID 109005246) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
PubChem CID109005246
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCOc1ccc(OCCNCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-12-17(21)20-14-4-2-13(18)3-5-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyIFDRPSQTYUGFIJ-UHFFFAOYSA-N
XLogP3.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223
N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
CID 61171662
[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (CID 109005246) is N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is COc1ccc(OCCNCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The InChIKey is IFDRPSQTYUGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-12-17(21)20-14-4-2-13(18)3-5-14/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is sourced from PubChem (CID 109005246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).