N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

C14H16ClF3N2O2 — CID 91677749

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O2/c1-2-20(13(21)14(16,17)18)10-3-4-12(11(15)9-10)19-5-7-22-8-6-19/h3-4,9H,2,5-8H2,1H3
InChIKeyXKGZAUNEQFQPSY-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.09
Rot. Bonds3

About N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 91677749) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID91677749
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O2/c1-2-20(13(21)14(16,17)18)10-3-4-12(11(15)9-10)19-5-7-22-8-6-19/h3-4,9H,2,5-8H2,1H3
InChIKeyXKGZAUNEQFQPSY-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 91677756
N-(3-bromo-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 91677759
N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 91677372
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
prop-2-ynyl 5-[methyl-(2,2,2-trifluoroacetyl)amino]-2-morpholin-4-ylbenzoate
CID 91677222
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
CID 108968361
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
methyl 2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]acetate
CID 66700410
tert-butyl N-(2,2-diethoxyethyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 66700385
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 23278484
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 91677749) is N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is XKGZAUNEQFQPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-2-20(13(21)14(16,17)18)10-3-4-12(11(15)9-10)19-5-7-22-8-6-19/h3-4,9H,2,5-8H2,1H3.
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 336.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91677749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).