2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide

C21H23F2N3O3 — CID 2812995

IUPAC2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c22-15-6-7-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)24-8-3-9-26-10-12-29-13-11-26/h1-2,4-7,14H,3,8-13H2,(H,24,27)(H,25,28)
InChIKeyDDLDJLLMFBXSRC-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.67
Rot. Bonds7

About 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide

2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide (PubChem CID 2812995) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
PubChem CID2812995
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c22-15-6-7-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)24-8-3-9-26-10-12-29-13-11-26/h1-2,4-7,14H,3,8-13H2,(H,24,27)(H,25,28)
InChIKeyDDLDJLLMFBXSRC-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide (CID 2812995) is 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is DDLDJLLMFBXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-15-6-7-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)24-8-3-9-26-10-12-29-13-11-26/h1-2,4-7,14H,3,8-13H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2812995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).