2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid

C17H15ClN4O2 — CID 174586362

IUPAC2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid
SMILESCCc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1C
InChIInChI=1S/C17H15ClN4O2/c1-3-14-19-20-21-22(14)13-9-12(11-7-5-4-6-8-11)16(18)15(10(13)2)17(23)24/h4-9H,3H2,1-2H3,(H,23,24)
InChIKeyDGNMSWKZILJQCD-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid

2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid (PubChem CID 174586362) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid
PubChem CID174586362
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid
SMILESCCc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1C
InChIInChI=1S/C17H15ClN4O2/c1-3-14-19-20-21-22(14)13-9-12(11-7-5-4-6-8-11)16(18)15(10(13)2)17(23)24/h4-9H,3H2,1-2H3,(H,23,24)
InChIKeyDGNMSWKZILJQCD-UHFFFAOYSA-N
XLogP3.55
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid?
The IUPAC name of 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid (CID 174586362) is 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid.
What is the SMILES notation for 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid?
The canonical SMILES for 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid is CCc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1C.
What is the InChIKey of 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid?
The InChIKey is DGNMSWKZILJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-3-14-19-20-21-22(14)13-9-12(11-7-5-4-6-8-11)16(18)15(10(13)2)17(23)24/h4-9H,3H2,1-2H3,(H,23,24).
What are the key properties of 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid?
2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid has a molecular weight of 342.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid is sourced from PubChem (CID 174586362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).