(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate

C22H16N2O4 — CID 8917446

IUPAC(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16N2O4/c23-14-17-8-4-5-9-20(17)27-15-21(25)28-19-12-10-18(11-13-19)24-22(26)16-6-2-1-3-7-16/h1-13H,15H2,(H,24,26)
InChIKeyMMXCSHGELKNILM-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.79
Rot. Bonds6

About (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate

(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate (PubChem CID 8917446) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
PubChem CID8917446
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16N2O4/c23-14-17-8-4-5-9-20(17)27-15-21(25)28-19-12-10-18(11-13-19)24-22(26)16-6-2-1-3-7-16/h1-13H,15H2,(H,24,26)
InChIKeyMMXCSHGELKNILM-UHFFFAOYSA-N
XLogP3.79
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate 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

(4-cyanophenyl) 2-(2-cyanophenoxy)acetate
CID 4810644
methyl 4-[2-(2-cyanophenoxy)acetyl]oxybenzoate
CID 8961330
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407155
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
2-(4-benzamidophenoxy)acetic acid
CID 3830392
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate?
The IUPAC name of (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate (CID 8917446) is (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate?
The canonical SMILES for (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate?
The InChIKey is MMXCSHGELKNILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c23-14-17-8-4-5-9-20(17)27-15-21(25)28-19-12-10-18(11-13-19)24-22(26)16-6-2-1-3-7-16/h1-13H,15H2,(H,24,26).
What are the key properties of (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate?
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate has a molecular weight of 372.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 8917446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).