N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C17H15FN6O3 — CID 7465847

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C17H15FN6O3/c1-10-3-8-14(24(26)27)16(11(10)2)19-15(25)9-23-21-17(20-22-23)12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,25)
InChIKeyXOIFDAAUANBTQR-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.64
Rot. Bonds5

About N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7465847) has the molecular formula C17H15FN6O3 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7465847
Molecular FormulaC17H15FN6O3
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C17H15FN6O3/c1-10-3-8-14(24(26)27)16(11(10)2)19-15(25)9-23-21-17(20-22-23)12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,25)
InChIKeyXOIFDAAUANBTQR-UHFFFAOYSA-N
XLogP2.64
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.64
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'}

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(4-nitrophenyl)tetrazol-2-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 1129870
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 11932403
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
ethyl 4-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8543800
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7465847) is N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is XOIFDAAUANBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3/c1-10-3-8-14(24(26)27)16(11(10)2)19-15(25)9-23-21-17(20-22-23)12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,25).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 370.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).