2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C22H18N4O3 — CID 18231496

IUPAC2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N4O3/c23-14-16-6-4-5-9-20(16)29-15-21(27)24-18-10-12-19(13-11-18)26-22(28)25-17-7-2-1-3-8-17/h1-13H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyHDTVYWYNFWZKDK-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.22
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 18231496) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID18231496
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N4O3/c23-14-16-6-4-5-9-20(16)29-15-21(27)24-18-10-12-19(13-11-18)26-22(28)25-17-7-2-1-3-8-17/h1-13H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyHDTVYWYNFWZKDK-UHFFFAOYSA-N
XLogP4.22
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
2-(2-cyanophenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
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2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 18231496) is 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is N#Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is HDTVYWYNFWZKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-14-16-6-4-5-9-20(16)29-15-21(27)24-18-10-12-19(13-11-18)26-22(28)25-17-7-2-1-3-8-17/h1-13H,15H2,(H,24,27)(H2,25,26,28).
What are the key properties of 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 18231496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).