2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C17H16F3N3O5 — CID 7467801

IUPAC2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C17H16F3N3O5/c1-2-7-28-14-5-3-11(17(18,19)20)8-13(14)21-15(24)10-22-9-12(23(26)27)4-6-16(22)25/h3-6,8-9H,2,7,10H2,1H3,(H,21,24)
InChIKeyLVMYSLUOPPIFEX-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.20
Rot. Bonds7

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 7467801) has the molecular formula C17H16F3N3O5 and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID7467801
Molecular FormulaC17H16F3N3O5
Molecular Weight399.33 g/mol
Exact Mass399.10
IUPAC Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C17H16F3N3O5/c1-2-7-28-14-5-3-11(17(18,19)20)8-13(14)21-15(24)10-22-9-12(23(26)27)4-6-16(22)25/h3-6,8-9H,2,7,10H2,1H3,(H,21,24)
InChIKeyLVMYSLUOPPIFEX-UHFFFAOYSA-N
XLogP3.20
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-(2-methoxy-4-nitrophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277764
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070606
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-propoxyphenyl)acetamide
CID 30725586
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 7467801) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LVMYSLUOPPIFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O5/c1-2-7-28-14-5-3-11(17(18,19)20)8-13(14)21-15(24)10-22-9-12(23(26)27)4-6-16(22)25/h3-6,8-9H,2,7,10H2,1H3,(H,21,24).
What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 399.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7467801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).