N-methyl-2-nitro-4-(trifluoromethyl)benzamide

C9H7F3N2O3 — CID 134085755

IUPACN-methyl-2-nitro-4-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O3/c1-13-8(15)6-3-2-5(9(10,11)12)4-7(6)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyLJRKHUMJEXCWIM-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.97
Rot. Bonds2

About N-methyl-2-nitro-4-(trifluoromethyl)benzamide

N-methyl-2-nitro-4-(trifluoromethyl)benzamide (PubChem CID 134085755) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is N-methyl-2-nitro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-nitro-4-(trifluoromethyl)benzamide
PubChem CID134085755
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC NameN-methyl-2-nitro-4-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O3/c1-13-8(15)6-3-2-5(9(10,11)12)4-7(6)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyLJRKHUMJEXCWIM-UHFFFAOYSA-N
XLogP1.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.97
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

2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
1-[2-nitro-4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 54014622
CID 175469139
CID 175469139
3-[[2-nitro-4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119176933
N-[(2-methylfuran-3-yl)methyl]-2-nitro-4-(trifluoromethyl)benzamide
CID 71995090
N-[(2R)-4-(dimethylamino)butan-2-yl]-2-nitro-4-(trifluoromethyl)benzamide
CID 96563326
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-nitro-4-(trifluoromethyl)benzamide
CID 95932170
2-nitro-N-[(1R,3S)-1-oxothiolan-3-yl]-4-(trifluoromethyl)benzamide
CID 96526257
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
N-[(2-hydroxycyclopentyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide
CID 111471387
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitrobenzamide
CID 3111250
diethyl 2-[2-nitro-4-(trifluoromethyl)benzoyl]propanedioate
CID 54118611

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-2-nitro-4-(trifluoromethyl)benzamide (CID 134085755) is N-methyl-2-nitro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-2-nitro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-2-nitro-4-(trifluoromethyl)benzamide is CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitro-4-(trifluoromethyl)benzamide?
The InChIKey is LJRKHUMJEXCWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c1-13-8(15)6-3-2-5(9(10,11)12)4-7(6)14(16)17/h2-4H,1H3,(H,13,15).
What are the key properties of N-methyl-2-nitro-4-(trifluoromethyl)benzamide?
N-methyl-2-nitro-4-(trifluoromethyl)benzamide has a molecular weight of 248.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134085755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).