2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide

C20H15BrN2O3 — CID 127042058

IUPAC2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)c(Br)c1)Nc1cccnc1
InChIInChI=1S/C20H15BrN2O3/c21-18-11-16(26-13-19(24)23-15-7-4-10-22-12-15)8-9-17(18)20(25)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)
InChIKeyFBBVTPNOZJUYSD-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide

2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide (PubChem CID 127042058) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide
PubChem CID127042058
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC Name2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)c(Br)c1)Nc1cccnc1
InChIInChI=1S/C20H15BrN2O3/c21-18-11-16(26-13-19(24)23-15-7-4-10-22-12-15)8-9-17(18)20(25)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)
InChIKeyFBBVTPNOZJUYSD-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 162651453
2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 167432641
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
N-pyridin-3-yl-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53002384
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(4-benzoyl-3-hydroxyphenoxy)-N'-phenylacetohydrazide
CID 19995116

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide (CID 127042058) is 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide is O=C(COc1ccc(C(=O)c2ccccc2)c(Br)c1)Nc1cccnc1.
What is the InChIKey of 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is FBBVTPNOZJUYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c21-18-11-16(26-13-19(24)23-15-7-4-10-22-12-15)8-9-17(18)20(25)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24).
What are the key properties of 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide?
2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 411.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 127042058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).