N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide

C23H19N3O3 — CID 9253189

IUPACN-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c24-14-17-9-11-20(12-10-17)26-22(27)16-29-21-8-4-7-19(13-21)23(28)25-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,25,28)(H,26,27)
InChIKeyGGWVOBNQDPMQJK-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.51
Rot. Bonds7

About N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide (PubChem CID 9253189) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
PubChem CID9253189
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c24-14-17-9-11-20(12-10-17)26-22(27)16-29-21-8-4-7-19(13-21)23(28)25-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,25,28)(H,26,27)
InChIKeyGGWVOBNQDPMQJK-UHFFFAOYSA-N
XLogP3.51
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-benzyl-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28639925
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 9019837

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide (CID 9253189) is N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide is N#Cc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The InChIKey is GGWVOBNQDPMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-14-17-9-11-20(12-10-17)26-22(27)16-29-21-8-4-7-19(13-21)23(28)25-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 9253189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).