2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide

C15H17ClN4O — CID 834474

IUPAC2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCC1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H17ClN4O/c16-14-7-6-12(20-9-17-18-10-20)8-13(14)15(21)19-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,21)
InChIKeyQREQIWJAIKEMSF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834474) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834474
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCC1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H17ClN4O/c16-14-7-6-12(20-9-17-18-10-20)8-13(14)15(21)19-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,21)
InChIKeyQREQIWJAIKEMSF-UHFFFAOYSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide (CID 834474) is 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide is O=C(NC1CCCCC1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QREQIWJAIKEMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-14-7-6-12(20-9-17-18-10-20)8-13(14)15(21)19-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,21).
What are the key properties of 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).