2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide

C10H8ClN5O — CID 17162632

IUPAC2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
SMILESC=Cn1nnc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C10H8ClN5O/c1-2-16-14-10(13-15-16)12-9(17)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,14,17)
InChIKeyWRTFTBUJNYVRMZ-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.68
Rot. Bonds3

About 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide

2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide (PubChem CID 17162632) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
PubChem CID17162632
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
SMILESC=Cn1nnc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C10H8ClN5O/c1-2-16-14-10(13-15-16)12-9(17)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,14,17)
InChIKeyWRTFTBUJNYVRMZ-UHFFFAOYSA-N
XLogP1.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162644
N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide
CID 17177319
2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide
CID 118355479
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide
CID 75503905
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2,4-dichloro-N-(2-propyltetrazol-5-yl)benzamide
CID 649694
2-chloro-N-formylbenzamide
CID 87771443
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide (CID 17162632) is 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide is C=Cn1nnc(NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The InChIKey is WRTFTBUJNYVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-2-16-14-10(13-15-16)12-9(17)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,14,17).
What are the key properties of 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide?
2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide has a molecular weight of 249.66 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17162632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).