N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide

C12H12F3N3O3 — CID 43397740

IUPACN-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)7-1-4-9(10(5-7)18(20)21)16-6-11(19)17-8-2-3-8/h1,4-5,8,16H,2-3,6H2,(H,17,19)
InChIKeyGLUVMONVXWQOTI-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.30
Rot. Bonds5

About N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide

N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide (PubChem CID 43397740) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
PubChem CID43397740
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC NameN-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)7-1-4-9(10(5-7)18(20)21)16-6-11(19)17-8-2-3-8/h1,4-5,8,16H,2-3,6H2,(H,17,19)
InChIKeyGLUVMONVXWQOTI-UHFFFAOYSA-N
XLogP2.30
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.30
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

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 7148774
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 2914645
N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 2915128
1-(4-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone
CID 110823614
[(1R)-2-oxocyclohexyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 7148784
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
CID 9209200
(3-amino-3-oxopropyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 18284930
trans-(1S,2S)-2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]cyclopentane-1-carboxamide
CID 96510518
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-nitro-4-(trifluoromethylsulfanyl)anilino]acetamide
CID 7825396

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide (CID 43397740) is N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is GLUVMONVXWQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)7-1-4-9(10(5-7)18(20)21)16-6-11(19)17-8-2-3-8/h1,4-5,8,16H,2-3,6H2,(H,17,19).
What are the key properties of N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 303.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 43397740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).