2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide

C17H17BrClNO3 — CID 17154711

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C17H17BrClNO3/c1-11(2)23-14-5-3-4-13(9-14)20-17(21)10-22-16-7-6-12(18)8-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDORGZHQGMISMHU-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 17154711) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID17154711
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C17H17BrClNO3/c1-11(2)23-14-5-3-4-13(9-14)20-17(21)10-22-16-7-6-12(18)8-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDORGZHQGMISMHU-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide (CID 17154711) is 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is DORGZHQGMISMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-11(2)23-14-5-3-4-13(9-14)20-17(21)10-22-16-7-6-12(18)8-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 398.68 g/mol, XLogP of 4.91, 6 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-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17154711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).