N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide

C17H12ClN5O2 — CID 51288268

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
SMILESN#Cc1nncn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C17H12ClN5O2/c18-14-3-1-2-4-15(14)25-13-7-5-12(6-8-13)21-17(24)10-23-11-20-22-16(23)9-19/h1-8,11H,10H2,(H,21,24)
InChIKeyRVFSYJMPEKRMOM-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.23
Rot. Bonds5

About N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide

N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide (PubChem CID 51288268) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
PubChem CID51288268
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
SMILESN#Cc1nncn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C17H12ClN5O2/c18-14-3-1-2-4-15(14)25-13-7-5-12(6-8-13)21-17(24)10-23-11-20-22-16(23)9-19/h1-8,11H,10H2,(H,21,24)
InChIKeyRVFSYJMPEKRMOM-UHFFFAOYSA-N
XLogP3.23
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 47131260
N-(3-chloro-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47120491
2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
CID 17416741
N-[4-(2-chlorophenoxy)phenyl]-2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51728735
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
N-[2-(4-chlorophenoxy)ethyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51264015
N-[4-(2-chlorophenoxy)phenyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38808612
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
4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 78827977
N-[4-(2-chlorophenoxy)phenyl]-2-[(1S,2S,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 124714036

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide (CID 51288268) is N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide is N#Cc1nncn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide?
The InChIKey is RVFSYJMPEKRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c18-14-3-1-2-4-15(14)25-13-7-5-12(6-8-13)21-17(24)10-23-11-20-22-16(23)9-19/h1-8,11H,10H2,(H,21,24).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide?
N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide has a molecular weight of 353.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 51288268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).