N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide

C11H12N6O3 — CID 925636

IUPACN-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide
SMILESCCn1nnnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C11H12N6O3/c1-3-16-11(13-14-15-16)12-10(18)8-4-5-9(17(19)20)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13,15,18)
InChIKeyJAOWDPTVXWTAAA-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.16
Rot. Bonds4

About N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide

N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide (PubChem CID 925636) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide
PubChem CID925636
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC NameN-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide
SMILESCCn1nnnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C11H12N6O3/c1-3-16-11(13-14-15-16)12-10(18)8-4-5-9(17(19)20)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13,15,18)
InChIKeyJAOWDPTVXWTAAA-UHFFFAOYSA-N
XLogP1.16
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
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'}

Analyze N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(1-methyltetrazol-5-yl)-4-nitrobenzamide
CID 4510830
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
3-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 9247878
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047
3-methyl-4-nitro-N-[(2R)-pentan-2-yl]benzamide
CID 873806
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
N-(3-ethylpent-1-yn-3-yl)-3-methyl-4-nitrobenzamide
CID 18165891
ethyl 2-[[5-[(3-methyl-4-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 26176156

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide (CID 925636) is N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide is CCn1nnnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide?
The InChIKey is JAOWDPTVXWTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-3-16-11(13-14-15-16)12-10(18)8-4-5-9(17(19)20)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13,15,18).
What are the key properties of N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide?
N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide has a molecular weight of 276.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 925636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).