2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C14H12ClN5O2 — CID 863227

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1
InChIInChI=1S/C14H12ClN5O2/c15-11-5-3-10(4-6-11)14-17-19-20(18-14)9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyLJEFWUNMUZGWNU-UHFFFAOYSA-N
MW317.74 g/mol
LogP1.90
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 863227) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID863227
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1
InChIInChI=1S/C14H12ClN5O2/c15-11-5-3-10(4-6-11)14-17-19-20(18-14)9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyLJEFWUNMUZGWNU-UHFFFAOYSA-N
XLogP1.90
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 863227) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LJEFWUNMUZGWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c15-11-5-3-10(4-6-11)14-17-19-20(18-14)9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 317.74 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 863227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).