2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide

C10H9F3N2O2 — CID 70098702

IUPAC2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
SMILESCNC(=O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H9F3N2O2/c1-15-9(17)7-4-5(10(11,12)13)2-3-6(7)8(14)16/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyFCHLJOMKXZYGGG-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.16
Rot. Bonds2

About 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide

2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide (PubChem CID 70098702) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
PubChem CID70098702
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
SMILESCNC(=O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H9F3N2O2/c1-15-9(17)7-4-5(10(11,12)13)2-3-6(7)8(14)16/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyFCHLJOMKXZYGGG-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-N-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene-1,2-dicarboxamide
CID 87119900
2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
CID 140559986
N-methyl-2-nitro-4-(trifluoromethyl)benzamide
CID 134085755
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91391069
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
benzene;2-carbamoyl-5-[3-carboxy-4-(methylcarbamoyl)phenyl]benzoic acid;silver
CID 169424102
3-[2-carbamoyl-N-methyl-4-(trifluoromethyl)anilino]propanoic acid
CID 60986639

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide (CID 70098702) is 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide is CNC(=O)c1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide?
The InChIKey is FCHLJOMKXZYGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-15-9(17)7-4-5(10(11,12)13)2-3-6(7)8(14)16/h2-4H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide?
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide has a molecular weight of 246.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 70098702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).