2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

C16H15BrClNO2 — CID 113099511

IUPAC2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c17-15-4-2-1-3-12(15)11-16(20)19-9-10-21-14-7-5-13(18)6-8-14/h1-8H,9-11H2,(H,19,20)
InChIKeyZEISMFXHWWVBCE-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (PubChem CID 113099511) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
PubChem CID113099511
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c17-15-4-2-1-3-12(15)11-16(20)19-9-10-21-14-7-5-13(18)6-8-14/h1-8H,9-11H2,(H,19,20)
InChIKeyZEISMFXHWWVBCE-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-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (CID 113099511) is 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is O=C(Cc1ccccc1Br)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The InChIKey is ZEISMFXHWWVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-15-4-2-1-3-12(15)11-16(20)19-9-10-21-14-7-5-13(18)6-8-14/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]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 2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 113099511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).