N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide

C22H18F3NO2 — CID 68738978

IUPACN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1ccccc1
InChIInChI=1S/C22H18F3NO2/c1-26(21(28)16-7-3-2-4-8-16)14-15-6-5-9-17(12-15)19-13-18(22(23,24)25)10-11-20(19)27/h2-13,27H,14H2,1H3
InChIKeyLOQWXTJBQXJUON-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.35
Rot. Bonds4

About N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide

N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide (PubChem CID 68738978) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
PubChem CID68738978
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1ccccc1
InChIInChI=1S/C22H18F3NO2/c1-26(21(28)16-7-3-2-4-8-16)14-15-6-5-9-17(12-15)19-13-18(22(23,24)25)10-11-20(19)27/h2-13,27H,14H2,1H3
InChIKeyLOQWXTJBQXJUON-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

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Related Compounds

N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 68737669
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 69087224
(E)-2-ethoxy-3-[3-methoxy-4-[3-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]phenyl]prop-2-enoic acid
CID 68958154
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide (CID 68738978) is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide is CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide?
The InChIKey is LOQWXTJBQXJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c1-26(21(28)16-7-3-2-4-8-16)14-15-6-5-9-17(12-15)19-13-18(22(23,24)25)10-11-20(19)27/h2-13,27H,14H2,1H3.
What are the key properties of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide?
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide 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-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 68738978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).