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

C15H19F3N2O2 — CID 110710533

IUPACN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCOC(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O2/c1-19-7-8-22-13(9-19)10-20(2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,13H,7-10H2,1-2H3
InChIKeyGJYHWCUVHPSHSF-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.11
Rot. Bonds3

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

N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 110710533) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID110710533
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCOC(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O2/c1-19-7-8-22-13(9-19)10-20(2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,13H,7-10H2,1-2H3
InChIKeyGJYHWCUVHPSHSF-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 90635671
3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710510
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
3-(4-methoxyphenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 110710544
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide (CID 110710533) is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide is CN1CCOC(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GJYHWCUVHPSHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-19-7-8-22-13(9-19)10-20(2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide?
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110710533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).