2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide

C22H19BrClNO3 — CID 17142159

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H19BrClNO3/c23-17-9-10-21(20(24)13-17)28-15-22(26)25-18-7-4-8-19(14-18)27-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,25,26)
InChIKeyMPBRWOKTZRWSMY-UHFFFAOYSA-N
MW460.76 g/mol
LogP5.74
Rot. Bonds8

About 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide (PubChem CID 17142159) has the molecular formula C22H19BrClNO3 and a molecular weight of 460.76 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
PubChem CID17142159
Molecular FormulaC22H19BrClNO3
Molecular Weight460.76 g/mol
Exact Mass459.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H19BrClNO3/c23-17-9-10-21(20(24)13-17)28-15-22(26)25-18-7-4-8-19(14-18)27-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,25,26)
InChIKeyMPBRWOKTZRWSMY-UHFFFAOYSA-N
XLogP5.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134531
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133202
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222861
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide (CID 17142159) is 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide is O=C(COc1ccc(Br)cc1Cl)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The InChIKey is MPBRWOKTZRWSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO3/c23-17-9-10-21(20(24)13-17)28-15-22(26)25-18-7-4-8-19(14-18)27-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,25,26).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide has a molecular weight of 460.76 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide is sourced from PubChem (CID 17142159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).