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

C10H8Cl2N4O2 — CID 30865284

IUPAC3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-18-8-6(11)2-5(3-7(8)12)9(17)15-10-13-4-14-16-10/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyJPHONEZSTFLLNO-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.37
Rot. Bonds3

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

3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30865284) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30865284
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-18-8-6(11)2-5(3-7(8)12)9(17)15-10-13-4-14-16-10/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyJPHONEZSTFLLNO-UHFFFAOYSA-N
XLogP2.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30865284) is 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1c(Cl)cc(C(=O)Nc2ncn[nH]2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is JPHONEZSTFLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-18-8-6(11)2-5(3-7(8)12)9(17)15-10-13-4-14-16-10/h2-4H,1H3,(H2,13,14,15,16,17).
What are the key properties of 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 287.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30865284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).