2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide

C11H11N5O2 — CID 86596071

IUPAC2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=Cc1cccc(CC(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C11H11N5O2/c17-7-9-3-1-2-8(4-9)5-11(18)12-6-10-13-15-16-14-10/h1-4,7H,5-6H2,(H,12,18)(H,13,14,15,16)
InChIKeyJKOOBGFUBVTVRX-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.13
Rot. Bonds5

About 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide

2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 86596071) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID86596071
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=Cc1cccc(CC(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C11H11N5O2/c17-7-9-3-1-2-8(4-9)5-11(18)12-6-10-13-15-16-14-10/h1-4,7H,5-6H2,(H,12,18)(H,13,14,15,16)
InChIKeyJKOOBGFUBVTVRX-UHFFFAOYSA-N
XLogP-0.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
CID 90104523
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(3-formylphenyl)ethanethioamide
CID 88975492
3-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76927218
3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 62366415
3-(ethylaminomethyl)benzaldehyde
CID 90105279
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
CID 104607434
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
3-(methylaminomethyl)benzaldehyde
CID 20724862

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 86596071) is 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is O=Cc1cccc(CC(=O)NCc2nn[nH]n2)c1.
What is the InChIKey of 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is JKOOBGFUBVTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-7-9-3-1-2-8(4-9)5-11(18)12-6-10-13-15-16-14-10/h1-4,7H,5-6H2,(H,12,18)(H,13,14,15,16).
What are the key properties of 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 245.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 86596071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).