2-chloro-N-(2H-tetrazol-5-yl)benzamide

C8H6ClN5O — CID 680613

IUPAC2-chloro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1Cl
InChIInChI=1S/C8H6ClN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15)
InChIKeyUNQCWBFARCCWLR-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.11
Rot. Bonds2

About 2-chloro-N-(2H-tetrazol-5-yl)benzamide

2-chloro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 680613) has the molecular formula C8H6ClN5O and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID680613
Molecular FormulaC8H6ClN5O
Molecular Weight223.62 g/mol
Exact Mass223.03
IUPAC Name2-chloro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1Cl
InChIInChI=1S/C8H6ClN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15)
InChIKeyUNQCWBFARCCWLR-UHFFFAOYSA-N
XLogP1.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-Tetrazol-5-yl)benzamide
CID 569479
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
2,5-dichloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 935984
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
2,5-dichloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936202
2-Chloro-4-methyl-N-(1-propyl-1H-tetrazol-5-yl)-benzamide
CID 954521
3-Chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 965794
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
4-Fluoro-N-(1H-tetrazol-5-yl)benzamide
CID 3094209
JAN-GHE-5a013bed-11
CID 156907217
2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide
CID 2374450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(2H-tetrazol-5-yl)benzamide (CID 680613) is 2-chloro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UNQCWBFARCCWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15).
What are the key properties of 2-chloro-N-(2H-tetrazol-5-yl)benzamide?
2-chloro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 223.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 680613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).