N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide

C19H20F3NO2 — CID 10831747

IUPACN-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-23(18(25)15-5-3-2-4-6-15)13-16(11-12-24)14-7-9-17(10-8-14)19(20,21)22/h2-10,16,24H,11-13H2,1H3
InChIKeyJLUHIDIKVAQPIX-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.94
Rot. Bonds6

About N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide

N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide (PubChem CID 10831747) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide
PubChem CID10831747
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-23(18(25)15-5-3-2-4-6-15)13-16(11-12-24)14-7-9-17(10-8-14)19(20,21)22/h2-10,16,24H,11-13H2,1H3
InChIKeyJLUHIDIKVAQPIX-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diisobutyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10200929
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
N,N-diethyl-4-phenylbenzamide
CID 791562
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylmethylbenzamide
CID 15987307
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
CID 24895553
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 24895660
Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
N,N-diisobutyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438406
N-methyl-N-phenethyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438430

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide?
The IUPAC name of N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide (CID 10831747) is N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide is CN(CC(CCO)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide?
The InChIKey is JLUHIDIKVAQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-23(18(25)15-5-3-2-4-6-15)13-16(11-12-24)14-7-9-17(10-8-14)19(20,21)22/h2-10,16,24H,11-13H2,1H3.
What are the key properties of N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide?
N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide has a molecular weight of 351.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]butyl]-N-methylbenzamide is sourced from PubChem (CID 10831747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).