3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide

C13H15ClN4O2 — CID 166252826

IUPAC3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C)(C)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-13(2,11-7-15-18-17-11)16-12(19)8-4-5-10(20-3)9(14)6-8/h4-7H,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyJBHLOQJVGYAVDD-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide

3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide (PubChem CID 166252826) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide
PubChem CID166252826
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C)(C)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-13(2,11-7-15-18-17-11)16-12(19)8-4-5-10(20-3)9(14)6-8/h4-7H,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyJBHLOQJVGYAVDD-UHFFFAOYSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide (CID 166252826) is 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide is COc1ccc(C(=O)NC(C)(C)c2cn[nH]n2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide?
The InChIKey is JBHLOQJVGYAVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-13(2,11-7-15-18-17-11)16-12(19)8-4-5-10(20-3)9(14)6-8/h4-7H,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide?
3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide has a molecular weight of 294.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide is sourced from PubChem (CID 166252826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).