3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide

C16H13N3O3 — CID 78779251

IUPAC3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
SMILESN#Cc1ccccc1OCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c17-9-12-4-1-2-7-14(12)22-10-15(20)19-13-6-3-5-11(8-13)16(18)21/h1-8H,10H2,(H2,18,21)(H,19,20)
InChIKeyNYOXYFZCLZNKLV-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.67
Rot. Bonds5

About 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide

3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide (PubChem CID 78779251) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
PubChem CID78779251
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
SMILESN#Cc1ccccc1OCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c17-9-12-4-1-2-7-14(12)22-10-15(20)19-13-6-3-5-11(8-13)16(18)21/h1-8H,10H2,(H2,18,21)(H,19,20)
InChIKeyNYOXYFZCLZNKLV-UHFFFAOYSA-N
XLogP1.67
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
methyl 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18204444
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17393269
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide (CID 78779251) is 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide is N#Cc1ccccc1OCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide?
The InChIKey is NYOXYFZCLZNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-9-12-4-1-2-7-14(12)22-10-15(20)19-13-6-3-5-11(8-13)16(18)21/h1-8H,10H2,(H2,18,21)(H,19,20).
What are the key properties of 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide?
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 78779251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).