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

C11H10Cl2N4O2 — CID 104817090

IUPAC2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1n[nH]c(NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H10Cl2N4O2/c1-2-19-11-15-10(16-17-11)14-9(18)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyQRBMGFGERYUQND-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.76
Rot. Bonds4

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

2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 104817090) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID104817090
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1n[nH]c(NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H10Cl2N4O2/c1-2-19-11-15-10(16-17-11)14-9(18)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyQRBMGFGERYUQND-UHFFFAOYSA-N
XLogP2.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
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)-2,3,4-trifluorobenzamide
CID 104818343
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 104817090) is 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide is CCOc1n[nH]c(NC(=O)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is QRBMGFGERYUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-2-19-11-15-10(16-17-11)14-9(18)6-4-3-5-7(12)8(6)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide?
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 301.13 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 104817090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).