3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H10ClN5O — CID 7693798

IUPAC3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyDQNWWOOFWVFKTM-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7693798) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7693798
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyDQNWWOOFWVFKTM-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7693798) is 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is DQNWWOOFWVFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-4-1-3-10(7-11)14(21)17-12-5-2-6-13(8-12)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7693798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).