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

C11H11ClN4O2 — CID 104817083

IUPAC3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1n[nH]c(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11-14-10(15-16-11)13-9(17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyOUDBBUSCOZBFAB-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.11
Rot. Bonds4

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

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 104817083) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID104817083
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1n[nH]c(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11-14-10(15-16-11)13-9(17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyOUDBBUSCOZBFAB-UHFFFAOYSA-N
XLogP2.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
CID 138024221
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 104817590
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)-5-iodothiophene-3-carboxamide
CID 104818342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 104817083) is 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide is CCOc1n[nH]c(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is OUDBBUSCOZBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-18-11-14-10(15-16-11)13-9(17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 266.69 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 104817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).