(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide

C16H14F3N3O3 — CID 7610238

IUPAC(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide
SMILESC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C16H14F3N3O3/c1-10(15(23)21-12-5-3-2-4-6-12)20-13-8-7-11(16(17,18)19)9-14(13)22(24)25/h2-10,20H,1H3,(H,21,23)/t10-/m0/s1
InChIKeyVYENKTNOABZOPP-JTQLQIEISA-N
MW353.30 g/mol
LogP4.05
Rot. Bonds5

About (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide

(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide (PubChem CID 7610238) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide
PubChem CID7610238
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide
SMILESC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C16H14F3N3O3/c1-10(15(23)21-12-5-3-2-4-6-12)20-13-8-7-11(16(17,18)19)9-14(13)22(24)25/h2-10,20H,1H3,(H,21,23)/t10-/m0/s1
InChIKeyVYENKTNOABZOPP-JTQLQIEISA-N
XLogP4.05
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.05
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'}

Analyze (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,4-dimethylphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 7610367
(2S)-N-(2,5-dimethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 7611553
4-methyl-N'-[(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]benzohydrazide
CID 7858184
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112
(2S)-N-[(4-fluorophenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 7611844
[2-(2-nitroanilino)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
CID 4831651
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
CID 133311026
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 5185963
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
3-[2-nitro-4-(trifluoromethyl)anilino]butanamide
CID 115647573
2-(3-methyl-4-nitroanilino)-N-phenylpropanamide
CID 133310966
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
CID 7566909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide (CID 7610238) is (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide is C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide?
The InChIKey is VYENKTNOABZOPP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-10(15(23)21-12-5-3-2-4-6-12)20-13-8-7-11(16(17,18)19)9-14(13)22(24)25/h2-10,20H,1H3,(H,21,23)/t10-/m0/s1.
What are the key properties of (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide?
(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide has a molecular weight of 353.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide is sourced from PubChem (CID 7610238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).