2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

C16H13ClFN5O — CID 2529069

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN5O/c17-13-5-3-12(4-6-13)16-20-22-23(21-16)10-15(24)19-9-11-1-7-14(18)8-2-11/h1-8H,9-10H2,(H,19,24)
InChIKeyDTBKKJCFFHGPGI-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.45
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2529069) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2529069
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN5O/c17-13-5-3-12(4-6-13)16-20-22-23(21-16)10-15(24)19-9-11-1-7-14(18)8-2-11/h1-8H,9-10H2,(H,19,24)
InChIKeyDTBKKJCFFHGPGI-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 2529069) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DTBKKJCFFHGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c17-13-5-3-12(4-6-13)16-20-22-23(21-16)10-15(24)19-9-11-1-7-14(18)8-2-11/h1-8H,9-10H2,(H,19,24).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 345.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2529069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).