5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

C15H12ClN5O2 — CID 40617580

IUPAC5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-7-2-10(16)8-13(14)15(22)18-11-3-5-12(6-4-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyLDJZBTNLGTZGJV-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.58
Rot. Bonds4

About 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 40617580) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID40617580
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-7-2-10(16)8-13(14)15(22)18-11-3-5-12(6-4-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyLDJZBTNLGTZGJV-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 40617580) is 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is LDJZBTNLGTZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-14-7-2-10(16)8-13(14)15(22)18-11-3-5-12(6-4-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22).
What are the key properties of 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 329.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 40617580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).