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

C10H10F3N3O3 — CID 54935716

IUPAC2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O
InChIInChI=1S/C10H10F3N3O3/c1-5(9(14)17)15-8-3-2-6(16(18)19)4-7(8)10(11,12)13/h2-5,15H,1H3,(H2,14,17)
InChIKeyMEYWTMYPNPKDQE-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.90
Rot. Bonds4

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

2-[4-nitro-2-(trifluoromethyl)anilino]propanamide (PubChem CID 54935716) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
PubChem CID54935716
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O
InChIInChI=1S/C10H10F3N3O3/c1-5(9(14)17)15-8-3-2-6(16(18)19)4-7(8)10(11,12)13/h2-5,15H,1H3,(H2,14,17)
InChIKeyMEYWTMYPNPKDQE-UHFFFAOYSA-N
XLogP1.90
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
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

N-(3,3-dimethylbutan-2-yl)-4-nitro-2-(trifluoromethyl)aniline
CID 104828660
(2R)-2-chloro-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 7063301
2-bromo-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 114014303
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2-(4-nitroanilino)propanamide
CID 43400796
3-[4-nitro-2-(trifluoromethyl)phenyl]butan-2-one
CID 55161988
N-[4-nitro-2-(trifluoromethyl)phenyl]-N'-propan-2-ylethane-1,2-diamine
CID 62665379
N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 61482384
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-methylpentanoate
CID 7848416
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
[4-nitro-2-(trifluoromethyl)phenyl]boronic acid
CID 15541255

Frequently Asked Questions

What is the IUPAC name of 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide (CID 54935716) is 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide is CC(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O.
What is the InChIKey of 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The InChIKey is MEYWTMYPNPKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-5(9(14)17)15-8-3-2-6(16(18)19)4-7(8)10(11,12)13/h2-5,15H,1H3,(H2,14,17).
What are the key properties of 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide has a molecular weight of 277.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-nitro-2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 54935716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).