N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide

C15H11ClN2O2 — CID 168524296

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-13-3-1-2-4-14(13)20-12-7-5-11(6-8-12)18-15(19)9-10-17/h1-8H,9H2,(H,18,19)
InChIKeyPVVRQNILKRPUNX-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide

N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide (PubChem CID 168524296) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
PubChem CID168524296
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-13-3-1-2-4-14(13)20-12-7-5-11(6-8-12)18-15(19)9-10-17/h1-8H,9H2,(H,18,19)
InChIKeyPVVRQNILKRPUNX-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(4-naphthalen-2-yloxyphenyl)acetamide
CID 168522770
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51288268
N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
CID 168522857
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
2-cyano-N-[4-[4-[(2-isocyanoacetyl)amino]phenoxy]phenyl]acetamide
CID 123897788
N-[4-(2-chlorophenoxy)phenyl]-3-methylbut-2-enamide
CID 17488433
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 35894204

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide (CID 168524296) is N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide?
The InChIKey is PVVRQNILKRPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-13-3-1-2-4-14(13)20-12-7-5-11(6-8-12)18-15(19)9-10-17/h1-8H,9H2,(H,18,19).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide?
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide has a molecular weight of 286.72 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168524296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).