[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

C17H14FN5O3 — CID 18081043

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN5O3/c1-11(16(24)20-14-7-5-13(18)6-8-14)26-17(25)12-3-2-4-15(9-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24)
InChIKeyHWBWSGQSFGUWTA-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.99
Rot. Bonds5

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate (PubChem CID 18081043) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
PubChem CID18081043
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN5O3/c1-11(16(24)20-14-7-5-13(18)6-8-14)26-17(25)12-3-2-4-15(9-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24)
InChIKeyHWBWSGQSFGUWTA-UHFFFAOYSA-N
XLogP1.99
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate (CID 18081043) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate is CC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is HWBWSGQSFGUWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-11(16(24)20-14-7-5-13(18)6-8-14)26-17(25)12-3-2-4-15(9-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 355.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 18081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).