2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C17H19BrN2O3 — CID 109005350

IUPAC2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-17(21)12-20-14-4-2-13(18)3-5-14/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyOANZUCPTIWBMCC-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.06
Rot. Bonds8

About 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 109005350) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID109005350
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-17(21)12-20-14-4-2-13(18)3-5-14/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyOANZUCPTIWBMCC-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

3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821761
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide
CID 55350905
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 109005350) is 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is OANZUCPTIWBMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-22-15-6-8-16(9-7-15)23-11-10-19-17(21)12-20-14-4-2-13(18)3-5-14/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]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 2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 109005350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).