2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H9Cl2N5O — CID 7711326

IUPAC2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-9-4-5-12(13(16)6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeySULDCRXUEGXSLY-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.22
Rot. Bonds3

About 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7711326) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7711326
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-9-4-5-12(13(16)6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeySULDCRXUEGXSLY-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7711326) is 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is SULDCRXUEGXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-9-4-5-12(13(16)6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7711326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).