N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide

C20H22F3N2O3+ — CID 9149566

IUPACN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-18(15-4-2-1-3-5-15)14-25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)/p+1/t18-/m0/s1
InChIKeyCALRTBHHXTVOIR-SFHVURJKSA-O
MW395.40 g/mol
LogP1.97
Rot. Bonds6

About N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide

N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 9149566) has the molecular formula C20H22F3N2O3+ and a molecular weight of 395.40 g/mol. Its IUPAC name is N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
PubChem CID9149566
Molecular FormulaC20H22F3N2O3+
Molecular Weight395.40 g/mol
Exact Mass395.16
IUPAC NameN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-18(15-4-2-1-3-5-15)14-25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)/p+1/t18-/m0/s1
InChIKeyCALRTBHHXTVOIR-SFHVURJKSA-O
XLogP1.97
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9150397
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9149673
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide (CID 9149566) is N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide is O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is CALRTBHHXTVOIR-SFHVURJKSA-O. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-18(15-4-2-1-3-5-15)14-25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)/p+1/t18-/m0/s1.
What are the key properties of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide?
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 395.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 9149566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).