N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C18H18F4N2O3 — CID 4775827

IUPACN-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCc1cc(C)n(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(=O)c1
InChIInChI=1S/C18H18F4N2O3/c1-11-6-12(2)24(15(25)7-11)23-16(26)14-5-3-4-13(8-14)9-27-10-18(21,22)17(19)20/h3-8,17H,9-10H2,1-2H3,(H,23,26)
InChIKeyQYDJUOAPWQOJBD-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.27
Rot. Bonds7

About N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 4775827) has the molecular formula C18H18F4N2O3 and a molecular weight of 386.35 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID4775827
Molecular FormulaC18H18F4N2O3
Molecular Weight386.35 g/mol
Exact Mass386.13
IUPAC NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCc1cc(C)n(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(=O)c1
InChIInChI=1S/C18H18F4N2O3/c1-11-6-12(2)24(15(25)7-11)23-16(26)14-5-3-4-13(8-14)9-27-10-18(21,22)17(19)20/h3-8,17H,9-10H2,1-2H3,(H,23,26)
InChIKeyQYDJUOAPWQOJBD-UHFFFAOYSA-N
XLogP3.27
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(dimethylamino)methyl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)benzamide;2,2,2-trifluoroacetic acid
CID 154888203
N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19405030
3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282185
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19400086
1-(2-ethylphenyl)-3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]thiourea
CID 4866990
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19401967
1-ethyl-N-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410736
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 51391487
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19286751
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19284224
N-[2-(4-nitropyrazol-1-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19574724
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19285860

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 4775827) is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is Cc1cc(C)n(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(=O)c1.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is QYDJUOAPWQOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3/c1-11-6-12(2)24(15(25)7-11)23-16(26)14-5-3-4-13(8-14)9-27-10-18(21,22)17(19)20/h3-8,17H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 386.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 4775827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).