N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide

C19H20F3NO2 — CID 55607000

IUPACN-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCCC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-2-14(15-6-4-3-5-7-15)12-23-18(24)16-8-10-17(11-9-16)25-13-19(20,21)22/h3-11,14H,2,12-13H2,1H3,(H,23,24)
InChIKeyALMGCCYOOSCHSG-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.55
Rot. Bonds7

About N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide

N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 55607000) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID55607000
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCCC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-2-14(15-6-4-3-5-7-15)12-23-18(24)16-8-10-17(11-9-16)25-13-19(20,21)22/h3-11,14H,2,12-13H2,1H3,(H,23,24)
InChIKeyALMGCCYOOSCHSG-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide (CID 55607000) is N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide is CCC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is ALMGCCYOOSCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-2-14(15-6-4-3-5-7-15)12-23-18(24)16-8-10-17(11-9-16)25-13-19(20,21)22/h3-11,14H,2,12-13H2,1H3,(H,23,24).
What are the key properties of N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide?
N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 55607000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).