1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one

C19H17ClFNO2 — CID 177307092

IUPAC1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17ClFNO2/c1-2-19(23)22-7-8-24-12-18(22)15-9-14(10-16(20)11-15)13-3-5-17(21)6-4-13/h2-6,9-11,18H,1,7-8,12H2/t18-/m0/s1
InChIKeyJWLZAPXULUKSJS-SFHVURJKSA-N
MW345.80 g/mol
LogP4.23
Rot. Bonds3

About 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one

1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 177307092) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID177307092
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17ClFNO2/c1-2-19(23)22-7-8-24-12-18(22)15-9-14(10-16(20)11-15)13-3-5-17(21)6-4-13/h2-6,9-11,18H,1,7-8,12H2/t18-/m0/s1
InChIKeyJWLZAPXULUKSJS-SFHVURJKSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one (CID 177307092) is 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is JWLZAPXULUKSJS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c1-2-19(23)22-7-8-24-12-18(22)15-9-14(10-16(20)11-15)13-3-5-17(21)6-4-13/h2-6,9-11,18H,1,7-8,12H2/t18-/m0/s1.
What are the key properties of 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 345.80 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 177307092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).