5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide

C11H9ClF2N4O2 — CID 59581567

IUPAC5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide
SMILESCn1nc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClF2N4O2/c1-18-11(15-9(17-18)8(13)14)16-10(20)6-4-5(12)2-3-7(6)19/h2-4,8,19H,1H3,(H,15,16,17,20)
InChIKeyWZRHEGLAQCTAEQ-UHFFFAOYSA-N
MW302.67 g/mol
LogP2.36
Rot. Bonds3

About 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide

5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide (PubChem CID 59581567) has the molecular formula C11H9ClF2N4O2 and a molecular weight of 302.67 g/mol. Its IUPAC name is 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide
PubChem CID59581567
Molecular FormulaC11H9ClF2N4O2
Molecular Weight302.67 g/mol
Exact Mass302.04
IUPAC Name5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide
SMILESCn1nc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClF2N4O2/c1-18-11(15-9(17-18)8(13)14)16-10(20)6-4-5(12)2-3-7(6)19/h2-4,8,19H,1H3,(H,15,16,17,20)
InChIKeyWZRHEGLAQCTAEQ-UHFFFAOYSA-N
XLogP2.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide (CID 59581567) is 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide is Cn1nc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide?
The InChIKey is WZRHEGLAQCTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O2/c1-18-11(15-9(17-18)8(13)14)16-10(20)6-4-5(12)2-3-7(6)19/h2-4,8,19H,1H3,(H,15,16,17,20).
What are the key properties of 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide?
5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide has a molecular weight of 302.67 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 59581567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).