2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide

C14H15ClN4O2 — CID 46963454

IUPAC2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-13-6-11(19-8-16-17-9-19)3-4-12(13)14(20)18-10-2-1-5-21-7-10/h3-4,6,8-10H,1-2,5,7H2,(H,18,20)
InChIKeyCFOVWONWUBWWDG-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 46963454) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID46963454
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-13-6-11(19-8-16-17-9-19)3-4-12(13)14(20)18-10-2-1-5-21-7-10/h3-4,6,8-10H,1-2,5,7H2,(H,18,20)
InChIKeyCFOVWONWUBWWDG-UHFFFAOYSA-N
XLogP1.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide (CID 46963454) is 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(NC1CCCOC1)c1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is CFOVWONWUBWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-13-6-11(19-8-16-17-9-19)3-4-12(13)14(20)18-10-2-1-5-21-7-10/h3-4,6,8-10H,1-2,5,7H2,(H,18,20).
What are the key properties of 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 306.75 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 46963454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).