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

C18H19F3N2O — CID 7995534

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)12-14-5-3-13(4-6-14)11-22-17(24)15-7-9-16(10-8-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyJROHMIXUKIDNSI-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.70
Rot. Bonds5

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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 7995534) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID7995534
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)12-14-5-3-13(4-6-14)11-22-17(24)15-7-9-16(10-8-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyJROHMIXUKIDNSI-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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide (CID 7995534) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide is CN(C)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JROHMIXUKIDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-23(2)12-14-5-3-13(4-6-14)11-22-17(24)15-7-9-16(10-8-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)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-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7995534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).