2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

C16H14FN5O — CID 707594

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H14FN5O/c1-11-5-4-6-12(9-11)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBGEDKYSCSCPEKP-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.43
Rot. Bonds4

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 707594) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID707594
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H14FN5O/c1-11-5-4-6-12(9-11)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBGEDKYSCSCPEKP-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (CID 707594) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is BGEDKYSCSCPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-11-5-4-6-12(9-11)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 707594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).