N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

C18H18F3N3O2 — CID 33031482

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-4-2-1-3-14(15)17(25)23-12-13-5-6-22-16(11-13)24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyXEYPEONXXXHPQZ-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.87
Rot. Bonds4

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 33031482) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID33031482
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-4-2-1-3-14(15)17(25)23-12-13-5-6-22-16(11-13)24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyXEYPEONXXXHPQZ-UHFFFAOYSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 32584893
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 33029863

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (CID 33031482) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XEYPEONXXXHPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)15-4-2-1-3-14(15)17(25)23-12-13-5-6-22-16(11-13)24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 33031482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).