N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide

C16H15BrClNO2 — CID 114315608

IUPACN-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(Br)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11(17)14-4-2-3-5-15(14)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPDKJAYMZUSUWBS-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.81
Rot. Bonds5

About N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide

N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 114315608) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID114315608
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(Br)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11(17)14-4-2-3-5-15(14)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPDKJAYMZUSUWBS-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 60728567
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 114032037
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide (CID 114315608) is N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide is CC(Br)c1ccccc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is PDKJAYMZUSUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11(17)14-4-2-3-5-15(14)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 368.66 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 114315608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).