5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide

C25H26ClFN2O4 — CID 168526206

IUPAC5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide
SMILESCCOc1cc(-c2ccco2)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C25H26ClFN2O4/c1-2-31-24-13-20(23-4-3-10-33-23)22(26)12-21(24)25(30)28-14-19-16-29(9-11-32-19)15-17-5-7-18(27)8-6-17/h3-8,10,12-13,19H,2,9,11,14-16H2,1H3,(H,28,30)
InChIKeyXZWZBMNMYUYGGJ-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.77
Rot. Bonds8

About 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide

5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide (PubChem CID 168526206) has the molecular formula C25H26ClFN2O4 and a molecular weight of 472.94 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide
PubChem CID168526206
Molecular FormulaC25H26ClFN2O4
Molecular Weight472.94 g/mol
Exact Mass472.16
IUPAC Name5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide
SMILESCCOc1cc(-c2ccco2)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C25H26ClFN2O4/c1-2-31-24-13-20(23-4-3-10-33-23)22(26)12-21(24)25(30)28-14-19-16-29(9-11-32-19)15-17-5-7-18(27)8-6-17/h3-8,10,12-13,19H,2,9,11,14-16H2,1H3,(H,28,30)
InChIKeyXZWZBMNMYUYGGJ-UHFFFAOYSA-N
XLogP4.77
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide (CID 168526206) is 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide is CCOc1cc(-c2ccco2)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.
What is the InChIKey of 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide?
The InChIKey is XZWZBMNMYUYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O4/c1-2-31-24-13-20(23-4-3-10-33-23)22(26)12-21(24)25(30)28-14-19-16-29(9-11-32-19)15-17-5-7-18(27)8-6-17/h3-8,10,12-13,19H,2,9,11,14-16H2,1H3,(H,28,30).
What are the key properties of 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide?
5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide has a molecular weight of 472.94 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide is sourced from PubChem (CID 168526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).