2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide

C15H12F3N3O4 — CID 16959128

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O4/c1-9(25-12-6-3-7-19-13(12)21(23)24)14(22)20-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3,(H,20,22)
InChIKeyOHGQUOFTYHIWND-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide

2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 16959128) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID16959128
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O4/c1-9(25-12-6-3-7-19-13(12)21(23)24)14(22)20-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3,(H,20,22)
InChIKeyOHGQUOFTYHIWND-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
3-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 29338744
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 16959128) is 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OHGQUOFTYHIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-9(25-12-6-3-7-19-13(12)21(23)24)14(22)20-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3,(H,20,22).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 355.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 16959128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).