3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide

C24H21N3O3 — CID 9019837

IUPAC3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-2-26-24(29)20-4-3-5-21(14-20)27-23(28)16-30-22-12-10-19(11-13-22)18-8-6-17(15-25)7-9-18/h3-14H,2,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyPXHNHGAAHSPVKX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.99
Rot. Bonds7

About 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide

3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide (PubChem CID 9019837) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
PubChem CID9019837
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-2-26-24(29)20-4-3-5-21(14-20)27-23(28)16-30-22-12-10-19(11-13-22)18-8-6-17(15-25)7-9-18/h3-14H,2,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyPXHNHGAAHSPVKX-UHFFFAOYSA-N
XLogP3.99
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510532
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide (CID 9019837) is 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1.
What is the InChIKey of 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The InChIKey is PXHNHGAAHSPVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-26-24(29)20-4-3-5-21(14-20)27-23(28)16-30-22-12-10-19(11-13-22)18-8-6-17(15-25)7-9-18/h3-14H,2,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 9019837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).