3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H10IN5O2 — CID 114103230

IUPAC3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)c1nn[nH]n1
InChIInChI=1S/C10H10IN5O2/c1-5(9-13-15-16-14-9)12-10(18)6-2-3-7(11)8(17)4-6/h2-5,17H,1H3,(H,12,18)(H,13,14,15,16)
InChIKeyQHKXSYFJUSFZMO-UHFFFAOYSA-N
MW359.13 g/mol
LogP1.00
Rot. Bonds3

About 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 114103230) has the molecular formula C10H10IN5O2 and a molecular weight of 359.13 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID114103230
Molecular FormulaC10H10IN5O2
Molecular Weight359.13 g/mol
Exact Mass358.99
IUPAC Name3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)c1nn[nH]n1
InChIInChI=1S/C10H10IN5O2/c1-5(9-13-15-16-14-9)12-10(18)6-2-3-7(11)8(17)4-6/h2-5,17H,1H3,(H,12,18)(H,13,14,15,16)
InChIKeyQHKXSYFJUSFZMO-UHFFFAOYSA-N
XLogP1.00
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
6-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 62174233
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 104630729
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 45251703
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 114103230) is 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(I)c(O)c1)c1nn[nH]n1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is QHKXSYFJUSFZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5O2/c1-5(9-13-15-16-14-9)12-10(18)6-2-3-7(11)8(17)4-6/h2-5,17H,1H3,(H,12,18)(H,13,14,15,16).
What are the key properties of 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 359.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 114103230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).