N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide

C16H15BrClNO3 — CID 17430448

IUPACN-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO3/c1-11(20)19-13-3-5-14(6-4-13)21-8-9-22-16-7-2-12(18)10-15(16)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMIRADFASXPTGQS-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide

N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide (PubChem CID 17430448) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
PubChem CID17430448
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC NameN-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO3/c1-11(20)19-13-3-5-14(6-4-13)21-8-9-22-16-7-2-12(18)10-15(16)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMIRADFASXPTGQS-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725545
N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide (CID 17430448) is N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCOc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide?
The InChIKey is MIRADFASXPTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-11(20)19-13-3-5-14(6-4-13)21-8-9-22-16-7-2-12(18)10-15(16)17/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide?
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide has a molecular weight of 384.66 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 17430448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).