3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

C19H17F4N5O — CID 122640772

IUPAC3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCc1nnnn1-c1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N5O/c1-11-25-26-27-28(11)16-9-13(12-4-6-15(20)7-5-12)8-14(10-16)17(29)24-18(2,3)19(21,22)23/h4-10H,1-3H3,(H,24,29)
InChIKeyUJYKFPQEZWYYNC-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.85
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (PubChem CID 122640772) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
PubChem CID122640772
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCc1nnnn1-c1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N5O/c1-11-25-26-27-28(11)16-9-13(12-4-6-15(20)7-5-12)8-14(10-16)17(29)24-18(2,3)19(21,22)23/h4-10H,1-3H3,(H,24,29)
InChIKeyUJYKFPQEZWYYNC-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (CID 122640772) is 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is Cc1nnnn1-c1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The InChIKey is UJYKFPQEZWYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c1-11-25-26-27-28(11)16-9-13(12-4-6-15(20)7-5-12)8-14(10-16)17(29)24-18(2,3)19(21,22)23/h4-10H,1-3H3,(H,24,29).
What are the key properties of 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide has a molecular weight of 407.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 122640772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).