5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide

C16H15ClN4O2 — CID 70717946

IUPAC5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C
InChIInChI=1S/C16H15ClN4O2/c1-10(15-18-9-19-21(15)2)20-16(22)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,20,22)
InChIKeyCQDPUDCXPCOBHP-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.22
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 70717946) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID70717946
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C
InChIInChI=1S/C16H15ClN4O2/c1-10(15-18-9-19-21(15)2)20-16(22)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,20,22)
InChIKeyCQDPUDCXPCOBHP-UHFFFAOYSA-N
XLogP3.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide (CID 70717946) is 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C.
What is the InChIKey of 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is CQDPUDCXPCOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10(15-18-9-19-21(15)2)20-16(22)14-8-7-13(23-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,20,22).
What are the key properties of 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 70717946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).