N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide

C16H15BrClNO2 — CID 113099571

IUPACN-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c17-14-3-1-2-4-15(14)21-10-9-19-16(20)11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyLNZXHSNEOSZVPM-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113099571) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113099571
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c17-14-3-1-2-4-15(14)21-10-9-19-16(20)11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyLNZXHSNEOSZVPM-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 113100170
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide
CID 110315454
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide (CID 113099571) is N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is LNZXHSNEOSZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-14-3-1-2-4-15(14)21-10-9-19-16(20)11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 368.66 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113099571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).