2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide

C11H11Cl2N5O — CID 893321

IUPAC2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N5O/c1-2-6-18-16-11(15-17-18)14-10(19)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16,19)
InChIKeyYNIAXXGASXSNAE-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.64
Rot. Bonds4

About 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide

2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893321) has the molecular formula C11H11Cl2N5O and a molecular weight of 300.15 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893321
Molecular FormulaC11H11Cl2N5O
Molecular Weight300.15 g/mol
Exact Mass299.03
IUPAC Name2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N5O/c1-2-6-18-16-11(15-17-18)14-10(19)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16,19)
InChIKeyYNIAXXGASXSNAE-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide (CID 893321) is 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is YNIAXXGASXSNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O/c1-2-6-18-16-11(15-17-18)14-10(19)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16,19).
What are the key properties of 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide?
2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 300.15 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).