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

C11H9ClF2N4O2 — CID 71863361

IUPAC5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1
InChIInChI=1S/C11H9ClF2N4O2/c1-5-15-11(18-17-5)16-9(19)7-4-6(12)2-3-8(7)20-10(13)14/h2-4,10H,1H3,(H2,15,16,17,18,19)
InChIKeyYGRZXYBDYLUPHG-UHFFFAOYSA-N
MW302.67 g/mol
LogP2.62
Rot. Bonds4

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

5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 71863361) has the molecular formula C11H9ClF2N4O2 and a molecular weight of 302.67 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID71863361
Molecular FormulaC11H9ClF2N4O2
Molecular Weight302.67 g/mol
Exact Mass302.04
IUPAC Name5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1
InChIInChI=1S/C11H9ClF2N4O2/c1-5-15-11(18-17-5)16-9(19)7-4-6(12)2-3-8(7)20-10(13)14/h2-4,10H,1H3,(H2,15,16,17,18,19)
InChIKeyYGRZXYBDYLUPHG-UHFFFAOYSA-N
XLogP2.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 975143
2-methoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 32460717
4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340646
5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
CID 45824163
4-chloro-2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56781979
5-chloro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 72127904
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
CID 17436835
4-chloro-2-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 53574710
4-(4-chloro-2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579604
5-chloro-N-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-2-hydroxybenzamide
CID 59581567
[2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl] acetate
CID 59581574
[2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 59581608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 71863361) is 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is YGRZXYBDYLUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O2/c1-5-15-11(18-17-5)16-9(19)7-4-6(12)2-3-8(7)20-10(13)14/h2-4,10H,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 302.67 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 71863361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).