N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide

C20H23FN2O2 — CID 3958817

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-2-4-17(5-3-15)20(24)22-14-19(23-10-12-25-13-11-23)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24)
InChIKeyASZFFEPTNZOJBS-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide (PubChem CID 3958817) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
PubChem CID3958817
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-2-4-17(5-3-15)20(24)22-14-19(23-10-12-25-13-11-23)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24)
InChIKeyASZFFEPTNZOJBS-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide (CID 3958817) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide?
The InChIKey is ASZFFEPTNZOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-2-4-17(5-3-15)20(24)22-14-19(23-10-12-25-13-11-23)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide has a molecular weight of 342.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 3958817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).