2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

C11H11F3N2O3 — CID 3397

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IUPAC2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChIKeyMKXKFYHWDHIYRV-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3397) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID3397
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChIKeyMKXKFYHWDHIYRV-UHFFFAOYSA-N
XLogP3.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Nilutamide
CID 4493
Hydroxyflutamide
CID 91649
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
3-Trifluoromethylisobutyranilide
CID 137264
(R)-3-Bromo-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
CID 5287785
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
(R)-N-[3-(Trifluoromethyl)-4-nitrophenyl]-3-iodo-2-hydroxy-2-methylpropanamide
CID 11742733
3-Bromo-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide
CID 10067789
Acetamide, N-(2-methyl-4-nitrophenyl)-
CID 75936
Fluridil
CID 9930988
N-Ethyl-2-methyl-4-nitroaniline
CID 643521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CID 3397) is 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MKXKFYHWDHIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 276.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).