2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C21H24FN3O3 — CID 8781774

IUPAC2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c22-18-8-3-1-6-16(18)21(27)24-19-9-4-2-7-17(19)20(26)23-10-5-11-25-12-14-28-15-13-25/h1-4,6-9H,5,10-15H2,(H,23,26)(H,24,27)
InChIKeyMOHLHDFBECGAEQ-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.53
Rot. Bonds7

About 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8781774) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8781774
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c22-18-8-3-1-6-16(18)21(27)24-19-9-4-2-7-17(19)20(26)23-10-5-11-25-12-14-28-15-13-25/h1-4,6-9H,5,10-15H2,(H,23,26)(H,24,27)
InChIKeyMOHLHDFBECGAEQ-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.53
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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Related Compounds

CID 2306528
CID 2306528
CID 217304
CID 217304
CID 726276
CID 726276
CID 4789050
CID 4789050
CID 14162480
CID 14162480
CID 16222191
CID 16222191
CID 16223325
CID 16223325
CID 24824960
CID 24824960
CID 44156964
CID 44156964
CID 57399426
CID 57399426
CID 73212859
CID 73212859
CID 127052827
CID 127052827

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 8781774) is 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is MOHLHDFBECGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-18-8-3-1-6-16(18)21(27)24-19-9-4-2-7-17(19)20(26)23-10-5-11-25-12-14-28-15-13-25/h1-4,6-9H,5,10-15H2,(H,23,26)(H,24,27).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 385.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8781774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).