2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

C9H9N7O3 — CID 112696758

IUPAC2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESNc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N7O3/c10-8-5(2-1-3-6(8)16(18)19)9(17)11-4-7-12-14-15-13-7/h1-3H,4,10H2,(H,11,17)(H,12,13,14,15)
InChIKeyJDHRICPECUZTME-UHFFFAOYSA-N
MW263.22 g/mol
LogP-0.38
Rot. Bonds4

About 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 112696758) has the molecular formula C9H9N7O3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID112696758
Molecular FormulaC9H9N7O3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESNc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N7O3/c10-8-5(2-1-3-6(8)16(18)19)9(17)11-4-7-12-14-15-13-7/h1-3H,4,10H2,(H,11,17)(H,12,13,14,15)
InChIKeyJDHRICPECUZTME-UHFFFAOYSA-N
XLogP-0.38
TPSA152.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 115937049
2,5-difluoro-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 107121999
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62176193
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
CID 103767889
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-3-nitrobenzamide
CID 114957471
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 115677738
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 112696758) is 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is Nc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is JDHRICPECUZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O3/c10-8-5(2-1-3-6(8)16(18)19)9(17)11-4-7-12-14-15-13-7/h1-3H,4,10H2,(H,11,17)(H,12,13,14,15).
What are the key properties of 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 263.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 112696758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).