2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

C22H25FN2O4 — CID 146990969

IUPAC2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)CCCN2CCOCC2)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H25FN2O4/c1-28-16-8-9-18(21(26)7-4-10-25-11-13-29-14-12-25)20(15-16)24-22(27)17-5-2-3-6-19(17)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27)
InChIKeyAQEOKGMHSYXYEW-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.38
Rot. Bonds8

About 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (PubChem CID 146990969) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
PubChem CID146990969
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)CCCN2CCOCC2)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H25FN2O4/c1-28-16-8-9-18(21(26)7-4-10-25-11-13-29-14-12-25)20(15-16)24-22(27)17-5-2-3-6-19(17)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27)
InChIKeyAQEOKGMHSYXYEW-UHFFFAOYSA-N
XLogP3.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (CID 146990969) is 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is COc1ccc(C(=O)CCCN2CCOCC2)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The InChIKey is AQEOKGMHSYXYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-16-8-9-18(21(26)7-4-10-25-11-13-29-14-12-25)20(15-16)24-22(27)17-5-2-3-6-19(17)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27).
What are the key properties of 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide has a molecular weight of 400.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is sourced from PubChem (CID 146990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).