N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

C17H15ClN4O2 — CID 166192461

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H15ClN4O2/c18-14-4-6-15(7-5-14)24-9-8-19-17(23)13-3-1-2-12(10-13)16-20-11-21-22-16/h1-7,10-11H,8-9H2,(H,19,23)(H,20,21,22)
InChIKeyXAORDXJCEMOKCT-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 166192461) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID166192461
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H15ClN4O2/c18-14-4-6-15(7-5-14)24-9-8-19-17(23)13-3-1-2-12(10-13)16-20-11-21-22-16/h1-7,10-11H,8-9H2,(H,19,23)(H,20,21,22)
InChIKeyXAORDXJCEMOKCT-UHFFFAOYSA-N
XLogP2.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 99641035
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166326947
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 166192461) is N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCCOc1ccc(Cl)cc1)c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is XAORDXJCEMOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-14-4-6-15(7-5-14)24-9-8-19-17(23)13-3-1-2-12(10-13)16-20-11-21-22-16/h1-7,10-11H,8-9H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 166192461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).