(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate

C15H11ClN4O2 — CID 41194676

IUPAC(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11ClN4O2/c16-13-6-4-11(5-7-13)9-22-15(21)12-2-1-3-14(8-12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyJZLRYDLLFGLADE-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.67
Rot. Bonds4

About (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate

(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 41194676) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
PubChem CID41194676
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11ClN4O2/c16-13-6-4-11(5-7-13)9-22-15(21)12-2-1-3-14(8-12)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyJZLRYDLLFGLADE-UHFFFAOYSA-N
XLogP2.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
(4-chlorophenyl)methyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888431
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 30431324
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 41195211
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55730925
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18082117
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 51292540

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate (CID 41194676) is (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate is O=C(OCc1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is JZLRYDLLFGLADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-13-6-4-11(5-7-13)9-22-15(21)12-2-1-3-14(8-12)20-10-17-18-19-20/h1-8,10H,9H2.
What are the key properties of (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 314.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 41194676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).