N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide

C9H7ClN6O3 — CID 104668311

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1nn[nH]n1
InChIInChI=1S/C9H7ClN6O3/c1-4-2-7(16(18)19)5(10)3-6(4)11-9(17)8-12-14-15-13-8/h2-3H,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyKDOUWMZSHUDYBH-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.32
Rot. Bonds3

About N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide

N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide (PubChem CID 104668311) has the molecular formula C9H7ClN6O3 and a molecular weight of 282.65 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
PubChem CID104668311
Molecular FormulaC9H7ClN6O3
Molecular Weight282.65 g/mol
Exact Mass282.03
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1nn[nH]n1
InChIInChI=1S/C9H7ClN6O3/c1-4-2-7(16(18)19)5(10)3-6(4)11-9(17)8-12-14-15-13-8/h2-3H,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyKDOUWMZSHUDYBH-UHFFFAOYSA-N
XLogP1.32
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.32
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

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
CID 113439011
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide (CID 104668311) is N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1nn[nH]n1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide?
The InChIKey is KDOUWMZSHUDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6O3/c1-4-2-7(16(18)19)5(10)3-6(4)11-9(17)8-12-14-15-13-8/h2-3H,1H3,(H,11,17)(H,12,13,14,15).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide has a molecular weight of 282.65 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 104668311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).