N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

C18H19F3N2O — CID 42540672

IUPACN-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-17(24)15-7-3-13(4-8-15)11-23(2)12-14-5-9-16(10-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyQEROHKAAGUMTKZ-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.70
Rot. Bonds5

About N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (PubChem CID 42540672) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
PubChem CID42540672
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-17(24)15-7-3-13(4-8-15)11-23(2)12-14-5-9-16(10-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyQEROHKAAGUMTKZ-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-methyl-4-[[methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 8966054
4-[[[ethylamino-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111299778
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 37218056
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 134058321
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (CID 42540672) is N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The InChIKey is QEROHKAAGUMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-22-17(24)15-7-3-13(4-8-15)11-23(2)12-14-5-9-16(10-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide has a molecular weight of 336.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 42540672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).