propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate

C19H18FN5O3 — CID 1154537

IUPACpropan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C19H18FN5O3/c1-12(2)28-19(27)13-7-9-14(10-8-13)21-17(26)11-25-23-18(22-24-25)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKeyOOJXGZIJAXKQGA-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.68
Rot. Bonds6

About propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate

propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate (PubChem CID 1154537) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
PubChem CID1154537
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Namepropan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C19H18FN5O3/c1-12(2)28-19(27)13-7-9-14(10-8-13)21-17(26)11-25-23-18(22-24-25)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKeyOOJXGZIJAXKQGA-UHFFFAOYSA-N
XLogP2.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 1168126
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3382696
propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 43833300

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate (CID 1154537) is propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate?
The InChIKey is OOJXGZIJAXKQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-12(2)28-19(27)13-7-9-14(10-8-13)21-17(26)11-25-23-18(22-24-25)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,26).
What are the key properties of propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate has a molecular weight of 383.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate is sourced from PubChem (CID 1154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).