5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

C11H13N7O3 — CID 62176193

IUPAC5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C11H13N7O3/c1-2-12-7-3-4-9(18(20)21)8(5-7)11(19)13-6-10-14-16-17-15-10/h3-5,12H,2,6H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyNRXINTGFHNOIBN-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.47
Rot. Bonds6

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

5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 62176193) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID62176193
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1
InChIInChI=1S/C11H13N7O3/c1-2-12-7-3-4-9(18(20)21)8(5-7)11(19)13-6-10-14-16-17-15-10/h3-5,12H,2,6H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyNRXINTGFHNOIBN-UHFFFAOYSA-N
XLogP0.47
TPSA138.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62680335
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
2,5-difluoro-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 107121999
N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 115937049
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
CID 83016700

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 62176193) is 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1.
What is the InChIKey of 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is NRXINTGFHNOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c1-2-12-7-3-4-9(18(20)21)8(5-7)11(19)13-6-10-14-16-17-15-10/h3-5,12H,2,6H2,1H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 62176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).