2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide

C21H18BrN3O3 — CID 2092582

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H18BrN3O3/c22-15-8-10-16(11-9-15)25-20(26)14-28-19-7-2-1-6-18(19)21(27)24-13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyGAVARGQWNULIAA-UHFFFAOYSA-N
MW440.30 g/mol
LogP3.79
Rot. Bonds7

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2092582) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2092582
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H18BrN3O3/c22-15-8-10-16(11-9-15)25-20(26)14-28-19-7-2-1-6-18(19)21(27)24-13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyGAVARGQWNULIAA-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
5-Bromo-2-(2-chloro-benzyloxy)-N-pyridin-3-yl-benzamide
CID 580694
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide
CID 2534340
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N-[2-(2-o-Tolyloxy-acetylamino)-ethyl]-isonicotinamide
CID 2992519
2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
CID 4881343
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
N-[1-[(4-bromoanilino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide
CID 1282817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide (CID 2092582) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide is O=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GAVARGQWNULIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c22-15-8-10-16(11-9-15)25-20(26)14-28-19-7-2-1-6-18(19)21(27)24-13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 440.30 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2092582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).