N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

C17H15ClN4O2 — CID 6459476

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCOc1ccccc1Cl)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C17H15ClN4O2/c18-15-6-1-2-7-16(15)24-9-8-19-17(23)13-4-3-5-14(10-13)22-11-20-21-12-22/h1-7,10-12H,8-9H2,(H,19,23)
InChIKeyVRJBPVIKCZQVJI-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6459476) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID6459476
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCOc1ccccc1Cl)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C17H15ClN4O2/c18-15-6-1-2-7-16(15)24-9-8-19-17(23)13-4-3-5-14(10-13)22-11-20-21-12-22/h1-7,10-12H,8-9H2,(H,19,23)
InChIKeyVRJBPVIKCZQVJI-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
3-bromo-N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977819
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
N-[2-(2-chlorophenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158874069
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842
3-bromo-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983358
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 6459476) is N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is O=C(NCCOc1ccccc1Cl)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is VRJBPVIKCZQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-15-6-1-2-7-16(15)24-9-8-19-17(23)13-4-3-5-14(10-13)22-11-20-21-12-22/h1-7,10-12H,8-9H2,(H,19,23).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6459476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).