N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide

C17H15ClN4O2 — CID 18084481

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C17H15ClN4O2/c1-12(24-14-5-3-2-4-6-14)17(23)21-15-9-13(18)7-8-16(15)22-11-19-10-20-22/h2-12H,1H3,(H,21,23)
InChIKeyXJDFQYZWBCUTAE-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.33
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide (PubChem CID 18084481) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide
PubChem CID18084481
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C17H15ClN4O2/c1-12(24-14-5-3-2-4-6-14)17(23)21-15-9-13(18)7-8-16(15)22-11-19-10-20-22/h2-12H,1H3,(H,21,23)
InChIKeyXJDFQYZWBCUTAE-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
N-(3-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methyl-2-furamide
CID 24980893
2-(4-chlorophenoxy)-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16277977
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16549163
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
N-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709072
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 9454151
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18084485

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide (CID 18084481) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is XJDFQYZWBCUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-12(24-14-5-3-2-4-6-14)17(23)21-15-9-13(18)7-8-16(15)22-11-19-10-20-22/h2-12H,1H3,(H,21,23).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 342.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 18084481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).