N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide

C18H17F3N2O2 — CID 166247033

IUPACN-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCC1COC1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)23-16-7-2-1-6-15(16)17(24)22-9-12-10-25-11-12/h1-8,12,23H,9-11H2,(H,22,24)
InChIKeyPQIDIWPEUUNXJH-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.83
Rot. Bonds5

About N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide

N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 166247033) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID166247033
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCC1COC1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)23-16-7-2-1-6-15(16)17(24)22-9-12-10-25-11-12/h1-8,12,23H,9-11H2,(H,22,24)
InChIKeyPQIDIWPEUUNXJH-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 56558972
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
prop-2-enyl 3-[[2-[[2-[3-(trifluoromethyl)anilino]benzoyl]amino]acetyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 76595836
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
N-[3-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 68821045
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide (CID 166247033) is N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide is O=C(NCC1COC1)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is PQIDIWPEUUNXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)23-16-7-2-1-6-15(16)17(24)22-9-12-10-25-11-12/h1-8,12,23H,9-11H2,(H,22,24).
What are the key properties of N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide?
N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 166247033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).