3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide

C10H10F4N2O — CID 59156732

IUPAC3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
SMILESCNC(=O)c1ccc(NCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4N2O/c1-15-9(17)6-2-3-8(7(11)4-6)16-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyOUZWUPYKQFPXDD-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.16
Rot. Bonds3

About 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide

3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide (PubChem CID 59156732) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
PubChem CID59156732
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
SMILESCNC(=O)c1ccc(NCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4N2O/c1-15-9(17)6-2-3-8(7(11)4-6)16-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyOUZWUPYKQFPXDD-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
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CID 167532226
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3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
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N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
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3-fluoro-N-methyl-4-methylsulfanylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The IUPAC name of 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide (CID 59156732) is 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide is CNC(=O)c1ccc(NCC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The InChIKey is OUZWUPYKQFPXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-15-9(17)6-2-3-8(7(11)4-6)16-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide has a molecular weight of 250.19 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide is sourced from PubChem (CID 59156732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).