(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone

C17H15ClFNO2 — CID 16894681

IUPAC(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15ClFNO2/c18-13-7-4-8-14(19)16(13)17(21)20-9-10-22-15(11-20)12-5-2-1-3-6-12/h1-8,15H,9-11H2
InChIKeyAKUJXDKKHXBCLB-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.69
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone

(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894681) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894681
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15ClFNO2/c18-13-7-4-8-14(19)16(13)17(21)20-9-10-22-15(11-20)12-5-2-1-3-6-12/h1-8,15H,9-11H2
InChIKeyAKUJXDKKHXBCLB-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894681) is (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is AKUJXDKKHXBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c18-13-7-4-8-14(19)16(13)17(21)20-9-10-22-15(11-20)12-5-2-1-3-6-12/h1-8,15H,9-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
(2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 319.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).