3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide

C22H24ClFN2O3 — CID 55875979

IUPAC3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(Cl)cc1C=CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H24ClFN2O3/c1-28-21-8-5-18(23)14-17(21)4-9-22(27)25-15-20(26-10-12-29-13-11-26)16-2-6-19(24)7-3-16/h2-9,14,20H,10-13,15H2,1H3,(H,25,27)
InChIKeySFLXUQZPJJWJQJ-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.69
Rot. Bonds7

About 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide

3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 55875979) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID55875979
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(Cl)cc1C=CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H24ClFN2O3/c1-28-21-8-5-18(23)14-17(21)4-9-22(27)25-15-20(26-10-12-29-13-11-26)16-2-6-19(24)7-3-16/h2-9,14,20H,10-13,15H2,1H3,(H,25,27)
InChIKeySFLXUQZPJJWJQJ-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 55406703
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55331152
(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
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 60594629
(E)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(furan-2-yl)prop-2-enamide
CID 7721839
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 55875979) is 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide is COc1ccc(Cl)cc1C=CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is SFLXUQZPJJWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c1-28-21-8-5-18(23)14-17(21)4-9-22(27)25-15-20(26-10-12-29-13-11-26)16-2-6-19(24)7-3-16/h2-9,14,20H,10-13,15H2,1H3,(H,25,27).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 418.90 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 55875979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).