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

C10H10N6O3 — CID 112693194

IUPAC2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1
InChIInChI=1S/C10H10N6O3/c17-10(11-6-9-12-14-15-13-9)5-7-2-1-3-8(4-7)16(18)19/h1-4H,5-6H2,(H,11,17)(H,12,13,14,15)
InChIKeyXFTSNQDDSSWNNT-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.03
Rot. Bonds5

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

2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 112693194) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID112693194
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1
InChIInChI=1S/C10H10N6O3/c17-10(11-6-9-12-14-15-13-9)5-7-2-1-3-8(4-7)16(18)19/h1-4H,5-6H2,(H,11,17)(H,12,13,14,15)
InChIKeyXFTSNQDDSSWNNT-UHFFFAOYSA-N
XLogP-0.03
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 106592140
2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 86596071
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62175476
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
3-fluoro-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 78954200
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
CID 115878782
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 112693194) is 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1.
What is the InChIKey of 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is XFTSNQDDSSWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c17-10(11-6-9-12-14-15-13-9)5-7-2-1-3-8(4-7)16(18)19/h1-4H,5-6H2,(H,11,17)(H,12,13,14,15).
What are the key properties of 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 112693194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).