N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide

C15H12F3N3O4 — CID 55789778

IUPACN-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C15H12F3N3O4/c1-9-2-5-13(19-7-9)20-14(22)11-6-10(25-8-15(16,17)18)3-4-12(11)21(23)24/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeyYIGYGNMXLMFSEY-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.49
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide

N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 55789778) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
PubChem CID55789778
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC NameN-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C15H12F3N3O4/c1-9-2-5-13(19-7-9)20-14(22)11-6-10(25-8-15(16,17)18)3-4-12(11)21(23)24/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeyYIGYGNMXLMFSEY-UHFFFAOYSA-N
XLogP3.49
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-5-methylphenyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 60561957
N-(4-acetamidophenyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55752418
2-nitro-N-(1H-1,2,4-triazol-5-yl)-5-(2,2,2-trifluoroethoxy)benzamide
CID 60506875
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
2-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(2,2,2-trifluoroethoxy)benzamide
CID 55756714
N-[3-(cyclopropanecarbonylamino)phenyl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55741479
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-5-(2,2,2-trifluoroethoxy)benzohydrazide
CID 55794086
N-[1-(1-benzofuran-2-yl)ethyl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55739206
N-(2-anilino-3-methylbutyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55793927
tert-butyl N-[2-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69486960
2-nitro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5-(2,2,2-trifluoroethoxy)benzamide
CID 55748340
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55740151

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide (CID 55789778) is N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide is Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is YIGYGNMXLMFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-9-2-5-13(19-7-9)20-14(22)11-6-10(25-8-15(16,17)18)3-4-12(11)21(23)24/h2-7H,8H2,1H3,(H,19,20,22).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide?
N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 355.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 55789778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).