N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

C22H18F3NO2 — CID 51120447

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1ccccc1O)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NO2/c1-26(14-16-6-2-5-9-20(16)27)21(28)19-8-4-3-7-18(19)15-10-12-17(13-11-15)22(23,24)25/h2-13,27H,14H2,1H3
InChIKeyOHDAWQXLNIKSMH-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.35
Rot. Bonds4

About N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 51120447) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID51120447
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1ccccc1O)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NO2/c1-26(14-16-6-2-5-9-20(16)27)21(28)19-8-4-3-7-18(19)15-10-12-17(13-11-15)22(23,24)25/h2-13,27H,14H2,1H3
InChIKeyOHDAWQXLNIKSMH-UHFFFAOYSA-N
XLogP5.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 135935168
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55368523
2-[(dimethylamino)methyl]-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 91445016
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 134059236
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
2-[2-methoxy-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90737113

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (CID 51120447) is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is CN(Cc1ccccc1O)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OHDAWQXLNIKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c1-26(14-16-6-2-5-9-20(16)27)21(28)19-8-4-3-7-18(19)15-10-12-17(13-11-15)22(23,24)25/h2-13,27H,14H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 51120447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).