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

C11H13N7O3 — CID 62175476

IUPAC2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C11H13N7O3/c1-2-12-9-4-3-7(18(20)21)5-8(9)11(19)13-6-10-14-16-17-15-10/h3-5,12H,2,6H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyGNSZGKZWLXYCPL-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.47
Rot. Bonds6

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

2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 62175476) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID62175476
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C11H13N7O3/c1-2-12-9-4-3-7(18(20)21)5-8(9)11(19)13-6-10-14-16-17-15-10/h3-5,12H,2,6H2,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyGNSZGKZWLXYCPL-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

N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62176193
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
3-fluoro-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 78954200
2-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961456
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 106592140
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62680335
2-(benzylamino)-N-[(4-fluorophenyl)methyl]-5-nitrobenzamide
CID 7551323
2,5-difluoro-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 107121999

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 62175476) is 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is GNSZGKZWLXYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c1-2-12-9-4-3-7(18(20)21)5-8(9)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 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-(ethylamino)-5-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 2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 62175476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).