2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide

C20H16BrN3O3 — CID 30335928

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16BrN3O3/c21-14-7-9-16(10-8-14)27-13-19(25)24-18-6-2-1-5-17(18)20(26)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeySQFANSRRSZBBJO-UHFFFAOYSA-N
MW426.27 g/mol
LogP4.11
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide (PubChem CID 30335928) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
PubChem CID30335928
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16BrN3O3/c21-14-7-9-16(10-8-14)27-13-19(25)24-18-6-2-1-5-17(18)20(26)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeySQFANSRRSZBBJO-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 3342560
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide (CID 30335928) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide is O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide?
The InChIKey is SQFANSRRSZBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c21-14-7-9-16(10-8-14)27-13-19(25)24-18-6-2-1-5-17(18)20(26)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide has a molecular weight of 426.27 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 30335928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).