N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide

C19H19F3N2O2 — CID 119074839

IUPACN-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(-c2ccc(C(=O)NCC3(C)COC3)cc2)n1
InChIInChI=1S/C19H19F3N2O2/c1-12-7-15(19(20,21)22)8-16(24-12)13-3-5-14(6-4-13)17(25)23-9-18(2)10-26-11-18/h3-8H,9-11H2,1-2H3,(H,23,25)
InChIKeyFSMUHJGDWMBZPR-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.84
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 119074839) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID119074839
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(-c2ccc(C(=O)NCC3(C)COC3)cc2)n1
InChIInChI=1S/C19H19F3N2O2/c1-12-7-15(19(20,21)22)8-16(24-12)13-3-5-14(6-4-13)17(25)23-9-18(2)10-26-11-18/h3-8H,9-11H2,1-2H3,(H,23,25)
InChIKeyFSMUHJGDWMBZPR-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118795936
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 131892543
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 121499310
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 78957044
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224365
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
CID 119059354

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 119074839) is N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)NCC3(C)COC3)cc2)n1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is FSMUHJGDWMBZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-7-15(19(20,21)22)8-16(24-12)13-3-5-14(6-4-13)17(25)23-9-18(2)10-26-11-18/h3-8H,9-11H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 119074839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).