2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide

C10H9F3N2O4 — CID 82000895

IUPAC2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H9F3N2O4/c1-5(9(14)16)19-8-3-2-6(10(11,12)13)4-7(8)15(17)18/h2-5H,1H3,(H2,14,16)
InChIKeySVUPBCJRRWPBAZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.87
Rot. Bonds4

About 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide

2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 82000895) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
PubChem CID82000895
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H9F3N2O4/c1-5(9(14)16)19-8-3-2-6(10(11,12)13)4-7(8)15(17)18/h2-5H,1H3,(H2,14,16)
InChIKeySVUPBCJRRWPBAZ-UHFFFAOYSA-N
XLogP1.87
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate
CID 30329
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
2-(4-cyano-2-nitrophenoxy)propanamide
CID 47449451
2-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 82000597
3-methoxy-2-[2-nitro-4-(trifluoromethyl)phenoxy]propanoic acid
CID 103224146
[(Z)-3-amino-2-ethyl-1-[2-nitro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide
CID 163569920
[2-nitro-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174495859
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 8565508
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-nitro-4-(trifluoromethyl)benzamide
CID 95932170
1-nitro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 125116617
2-[4-[(2-methylpropylamino)methyl]-2-nitrophenoxy]propanamide
CID 63056530

Frequently Asked Questions

What is the IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide (CID 82000895) is 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide is CC(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is SVUPBCJRRWPBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-5(9(14)16)19-8-3-2-6(10(11,12)13)4-7(8)15(17)18/h2-5H,1H3,(H2,14,16).
What are the key properties of 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide?
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 278.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 82000895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).