N-chloro-2-(tetrazol-1-yl)benzamide

C8H6ClN5O — CID 91422333

IUPACN-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCl)c1ccccc1-n1cnnn1
InChIInChI=1S/C8H6ClN5O/c9-11-8(15)6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H,11,15)
InChIKeyOWIBPEFKEZCKGB-UHFFFAOYSA-N
MW223.62 g/mol
LogP0.55
Rot. Bonds2

About N-chloro-2-(tetrazol-1-yl)benzamide

N-chloro-2-(tetrazol-1-yl)benzamide (PubChem CID 91422333) has the molecular formula C8H6ClN5O and a molecular weight of 223.62 g/mol. Its IUPAC name is N-chloro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-chloro-2-(tetrazol-1-yl)benzamide
PubChem CID91422333
Molecular FormulaC8H6ClN5O
Molecular Weight223.62 g/mol
Exact Mass223.03
IUPAC NameN-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCl)c1ccccc1-n1cnnn1
InChIInChI=1S/C8H6ClN5O/c9-11-8(15)6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H,11,15)
InChIKeyOWIBPEFKEZCKGB-UHFFFAOYSA-N
XLogP0.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78828822
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-chloro-2-(tetrazol-1-yl)benzamide (CID 91422333) is N-chloro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-chloro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-chloro-2-(tetrazol-1-yl)benzamide is O=C(NCl)c1ccccc1-n1cnnn1.
What is the InChIKey of N-chloro-2-(tetrazol-1-yl)benzamide?
The InChIKey is OWIBPEFKEZCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O/c9-11-8(15)6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H,11,15).
What are the key properties of N-chloro-2-(tetrazol-1-yl)benzamide?
N-chloro-2-(tetrazol-1-yl)benzamide has a molecular weight of 223.62 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91422333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).