4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide

C12H13ClN4O3 — CID 104818012

IUPAC4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(Cl)cc2OC)n1
InChIInChI=1S/C12H13ClN4O3/c1-3-20-12-15-11(16-17-12)14-10(18)8-5-4-7(13)6-9(8)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyDAIQENKQWKAWIJ-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.12
Rot. Bonds5

About 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide

4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide (PubChem CID 104818012) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
PubChem CID104818012
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(Cl)cc2OC)n1
InChIInChI=1S/C12H13ClN4O3/c1-3-20-12-15-11(16-17-12)14-10(18)8-5-4-7(13)6-9(8)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyDAIQENKQWKAWIJ-UHFFFAOYSA-N
XLogP2.12
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methoxypyridine-4-carboxamide
CID 105064012
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
CID 138024221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide (CID 104818012) is 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide is CCOc1n[nH]c(NC(=O)c2ccc(Cl)cc2OC)n1.
What is the InChIKey of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide?
The InChIKey is DAIQENKQWKAWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-3-20-12-15-11(16-17-12)14-10(18)8-5-4-7(13)6-9(8)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide?
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide has a molecular weight of 296.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 104818012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).