(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide

C21H23FN2O2 — CID 9148657

IUPAC(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-4-5-17(15-19)9-10-21(25)23-20(18-6-2-1-3-7-18)16-24-11-13-26-14-12-24/h1-10,15,20H,11-14,16H2,(H,23,25)/b10-9+/t20-/m0/s1
InChIKeyAZIPEIDRWUIUAN-XTXLJPNXSA-N
MW354.43 g/mol
LogP3.03
Rot. Bonds6

About (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide (PubChem CID 9148657) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
PubChem CID9148657
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H23FN2O2/c22-19-8-4-5-17(15-19)9-10-21(25)23-20(18-6-2-1-3-7-18)16-24-11-13-26-14-12-24/h1-10,15,20H,11-14,16H2,(H,23,25)/b10-9+/t20-/m0/s1
InChIKeyAZIPEIDRWUIUAN-XTXLJPNXSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9150082
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809
(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144485
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 51568231
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744300
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
(E)-3-(3,4-difluorophenyl)-N-[2-hydroxy-1-[3-(morpholin-4-ylmethyl)phenyl]ethyl]prop-2-enamide
CID 23573538

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide (CID 9148657) is (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide is O=C(/C=C/c1cccc(F)c1)N[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide?
The InChIKey is AZIPEIDRWUIUAN-XTXLJPNXSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-8-4-5-17(15-19)9-10-21(25)23-20(18-6-2-1-3-7-18)16-24-11-13-26-14-12-24/h1-10,15,20H,11-14,16H2,(H,23,25)/b10-9+/t20-/m0/s1.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide has a molecular weight of 354.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 9148657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).