2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

C20H20ClF3N2O2 — CID 55827029

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClF3N2O2/c1-13(19(27)25-17-5-3-2-4-16(17)20(22,23)24)26-10-11-28-18(12-26)14-6-8-15(21)9-7-14/h2-9,13,18H,10-12H2,1H3,(H,25,27)
InChIKeyDPUMHRHGCGABKR-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.76
Rot. Bonds4

About 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55827029) has the molecular formula C20H20ClF3N2O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID55827029
Molecular FormulaC20H20ClF3N2O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClF3N2O2/c1-13(19(27)25-17-5-3-2-4-16(17)20(22,23)24)26-10-11-28-18(12-26)14-6-8-15(21)9-7-14/h2-9,13,18H,10-12H2,1H3,(H,25,27)
InChIKeyDPUMHRHGCGABKR-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47057382
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 31519985
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 100842886
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 100842888
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571507
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 55827029) is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DPUMHRHGCGABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2/c1-13(19(27)25-17-5-3-2-4-16(17)20(22,23)24)26-10-11-28-18(12-26)14-6-8-15(21)9-7-14/h2-9,13,18H,10-12H2,1H3,(H,25,27).
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 412.84 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55827029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).