N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide

C19H20FN5O — CID 122640739

IUPACN-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN5O/c1-12-22-23-24-25(12)17-10-14(13-5-7-16(20)8-6-13)9-15(11-17)18(26)21-19(2,3)4/h5-11H,1-4H3,(H,21,26)
InChIKeyQOJJGQHBEFKFER-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.31
Rot. Bonds3

About N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide

N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide (PubChem CID 122640739) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide
PubChem CID122640739
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN5O/c1-12-22-23-24-25(12)17-10-14(13-5-7-16(20)8-6-13)9-15(11-17)18(26)21-19(2,3)4/h5-11H,1-4H3,(H,21,26)
InChIKeyQOJJGQHBEFKFER-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide (CID 122640739) is N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is QOJJGQHBEFKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-22-23-24-25(12)17-10-14(13-5-7-16(20)8-6-13)9-15(11-17)18(26)21-19(2,3)4/h5-11H,1-4H3,(H,21,26).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide?
N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 122640739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).