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

C25H25FN2O2 — CID 4789156

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25FN2O2/c26-23-12-10-21(11-13-23)24(28-14-16-30-17-15-28)18-27-25(29)22-8-6-20(7-9-22)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,27,29)
InChIKeyKXCYTSMPYSTYPZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.30
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide (PubChem CID 4789156) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide
PubChem CID4789156
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25FN2O2/c26-23-12-10-21(11-13-23)24(28-14-16-30-17-15-28)18-27-25(29)22-8-6-20(7-9-22)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,27,29)
InChIKeyKXCYTSMPYSTYPZ-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.30
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-phenylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide (CID 4789156) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide?
The InChIKey is KXCYTSMPYSTYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-23-12-10-21(11-13-23)24(28-14-16-30-17-15-28)18-27-25(29)22-8-6-20(7-9-22)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,27,29).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-phenylbenzamide has a molecular weight of 404.49 g/mol, XLogP of 4.30, 6 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-phenylbenzamide is sourced from PubChem (CID 4789156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).