N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide

C20H21F3N2O3 — CID 46578547

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-14-18(15-4-2-1-3-5-15)25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)
InChIKeyKXVRVAFTIQHHJI-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.39
Rot. Bonds6

About N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide

N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 46578547) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID46578547
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-14-18(15-4-2-1-3-5-15)25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)
InChIKeyKXVRVAFTIQHHJI-UHFFFAOYSA-N
XLogP3.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 47040388
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124732897
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 30835239
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide (CID 46578547) is N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is KXVRVAFTIQHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-14-18(15-4-2-1-3-5-15)25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide?
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 394.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).