3-chloro-N-(2-propyltetrazol-5-yl)benzamide

C11H12ClN5O — CID 956334

IUPAC3-chloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-6-17-15-11(14-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15,18)
InChIKeyCXLXXEFVLRBCIF-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.99
Rot. Bonds4

About 3-chloro-N-(2-propyltetrazol-5-yl)benzamide

3-chloro-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 956334) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-chloro-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID956334
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name3-chloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-6-17-15-11(14-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15,18)
InChIKeyCXLXXEFVLRBCIF-UHFFFAOYSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-propyltetrazol-5-yl)benzamide (CID 956334) is 3-chloro-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is CXLXXEFVLRBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-6-17-15-11(14-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15,18).
What are the key properties of 3-chloro-N-(2-propyltetrazol-5-yl)benzamide?
3-chloro-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 265.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 956334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).