(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C11H11F3N2O4 — CID 38925963

IUPAC(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H11F3N2O4/c1-7(20-6-11(12,13)14)10(17)15-8-3-2-4-9(5-8)16(18)19/h2-5,7H,6H2,1H3,(H,15,17)/t7-/m1/s1
InChIKeyCUYWTMRDXTZSOO-SSDOTTSWSA-N
MW292.21 g/mol
LogP2.50
Rot. Bonds5

About (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38925963) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38925963
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H11F3N2O4/c1-7(20-6-11(12,13)14)10(17)15-8-3-2-4-9(5-8)16(18)19/h2-5,7H,6H2,1H3,(H,15,17)/t7-/m1/s1
InChIKeyCUYWTMRDXTZSOO-SSDOTTSWSA-N
XLogP2.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.50
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

(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
N-(2-benzoyl-4-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873840
N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
CID 51725511
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
1-(3-nitrophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]propanoylamino]urea
CID 17377710
[1-(3-nitroanilino)-1-oxopropan-2-yl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5077651
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2,2-dimethylpropanoylamino)propanoate
CID 18278250
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38925963) is (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CUYWTMRDXTZSOO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-7(20-6-11(12,13)14)10(17)15-8-3-2-4-9(5-8)16(18)19/h2-5,7H,6H2,1H3,(H,15,17)/t7-/m1/s1.
What are the key properties of (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 292.21 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38925963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).