2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

C20H14BrClN2O3 — CID 162651453

IUPAC2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccnc1
InChIInChI=1S/C20H14BrClN2O3/c21-18-8-5-14(22)10-17(18)20(26)13-3-6-16(7-4-13)27-12-19(25)24-15-2-1-9-23-11-15/h1-11H,12H2,(H,24,25)
InChIKeyJRNJDUDKGSZXQK-UHFFFAOYSA-N
MW445.70 g/mol
LogP4.75
Rot. Bonds6

About 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (PubChem CID 162651453) has the molecular formula C20H14BrClN2O3 and a molecular weight of 445.70 g/mol. Its IUPAC name is 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
PubChem CID162651453
Molecular FormulaC20H14BrClN2O3
Molecular Weight445.70 g/mol
Exact Mass443.99
IUPAC Name2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccnc1
InChIInChI=1S/C20H14BrClN2O3/c21-18-8-5-14(22)10-17(18)20(26)13-3-6-16(7-4-13)27-12-19(25)24-15-2-1-9-23-11-15/h1-11H,12H2,(H,24,25)
InChIKeyJRNJDUDKGSZXQK-UHFFFAOYSA-N
XLogP4.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.70
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide
CID 127042058
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 167432641
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190714
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (CID 162651453) is 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccnc1.
What is the InChIKey of 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The InChIKey is JRNJDUDKGSZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O3/c21-18-8-5-14(22)10-17(18)20(26)13-3-6-16(7-4-13)27-12-19(25)24-15-2-1-9-23-11-15/h1-11H,12H2,(H,24,25).
What are the key properties of 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide has a molecular weight of 445.70 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 162651453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).