2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C18H18F3N3O2 — CID 175338732

IUPAC2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCNC(=O)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1c(C)cccc1C
InChIInChI=1S/C18H18F3N3O2/c1-10-5-4-6-11(2)14(10)15(16(25)24-17(26)22-3)13-9-12(7-8-23-13)18(19,20)21/h4-9,15H,1-3H3,(H2,22,24,25,26)
InChIKeySGLVVFPLNSSXDW-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.30
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 175338732) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID175338732
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCNC(=O)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1c(C)cccc1C
InChIInChI=1S/C18H18F3N3O2/c1-10-5-4-6-11(2)14(10)15(16(25)24-17(26)22-3)13-9-12(7-8-23-13)18(19,20)21/h4-9,15H,1-3H3,(H2,22,24,25,26)
InChIKeySGLVVFPLNSSXDW-UHFFFAOYSA-N
XLogP3.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(methylcarbamothioyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 166065235
2-(2-chlorophenyl)-N-[(trideuteriomethylamino)methylcarbamoyl]-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 175786941
2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 175338769
2-(2-chlorophenyl)-N-(methylcarbamoyl)-2-(4-methyl-2-pyridinyl)acetamide
CID 175338738
2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
CID 66330684
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 166065262
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882
(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
CID 118990673
ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 153329889
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 175338732) is 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CNC(=O)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is SGLVVFPLNSSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10-5-4-6-11(2)14(10)15(16(25)24-17(26)22-3)13-9-12(7-8-23-13)18(19,20)21/h4-9,15H,1-3H3,(H2,22,24,25,26).
What are the key properties of 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 365.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175338732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).