(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

C24H26ClF3N2O4 — CID 60594629

IUPAC(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C24H26ClF3N2O4/c1-32-21-7-5-17(14-22(21)33-2)20(30-9-11-34-12-10-30)15-29-23(31)8-4-16-3-6-19(25)18(13-16)24(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,29,31)/b8-4+
InChIKeyLTRNSKRZHNBNBN-XBXARRHUSA-N
MW498.93 g/mol
LogP4.58
Rot. Bonds8

About (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 60594629) has the molecular formula C24H26ClF3N2O4 and a molecular weight of 498.93 g/mol. Its IUPAC name is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID60594629
Molecular FormulaC24H26ClF3N2O4
Molecular Weight498.93 g/mol
Exact Mass498.15
IUPAC Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C24H26ClF3N2O4/c1-32-21-7-5-17(14-22(21)33-2)20(30-9-11-34-12-10-30)15-29-23(31)8-4-16-3-6-19(25)18(13-16)24(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,29,31)/b8-4+
InChIKeyLTRNSKRZHNBNBN-XBXARRHUSA-N
XLogP4.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 37101741
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55899935
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55463569
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55331152
3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 5207843
(E)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55674646
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55875979
(E)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 90129447
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 55406703

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 60594629) is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is COc1ccc(C(CNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)N2CCOCC2)cc1OC.
What is the InChIKey of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is LTRNSKRZHNBNBN-XBXARRHUSA-N. The full InChI is InChI=1S/C24H26ClF3N2O4/c1-32-21-7-5-17(14-22(21)33-2)20(30-9-11-34-12-10-30)15-29-23(31)8-4-16-3-6-19(25)18(13-16)24(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,29,31)/b8-4+.
What are the key properties of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 498.93 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 60594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).