N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide

C15H11ClN2O2 — CID 8933252

IUPACN-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
SMILESN#Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClN2O2/c16-12-4-2-5-13(8-12)18-15(19)10-20-14-6-1-3-11(7-14)9-17/h1-8H,10H2,(H,18,19)
InChIKeyNDRRHVWYSHQAOU-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.23
Rot. Bonds4

About N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide

N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide (PubChem CID 8933252) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
PubChem CID8933252
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
SMILESN#Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClN2O2/c16-12-4-2-5-13(8-12)18-15(19)10-20-14-6-1-3-11(7-14)9-17/h1-8H,10H2,(H,18,19)
InChIKeyNDRRHVWYSHQAOU-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-cyanophenoxy)-N-(3-chlorophenyl)acetamide
CID 102674501
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
dimethyl 5-[[2-(3-cyanophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2591381
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114307192
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide (CID 8933252) is N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide is N#Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide?
The InChIKey is NDRRHVWYSHQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-4-2-5-13(8-12)18-15(19)10-20-14-6-1-3-11(7-14)9-17/h1-8H,10H2,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide?
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide has a molecular weight of 286.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide is sourced from PubChem (CID 8933252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).