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

C21H24FN3O3 — CID 2812996

IUPAC2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3/c22-17-8-6-16(7-9-17)20(26)24-19-5-2-1-4-18(19)21(27)23-10-3-11-25-12-14-28-15-13-25/h1-2,4-9H,3,10-15H2,(H,23,27)(H,24,26)
InChIKeyTVGUKTCMRZYIMX-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.53
Rot. Bonds7

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

2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2812996) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2812996
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3/c22-17-8-6-16(7-9-17)20(26)24-19-5-2-1-4-18(19)21(27)23-10-3-11-25-12-14-28-15-13-25/h1-2,4-9H,3,10-15H2,(H,23,27)(H,24,26)
InChIKeyTVGUKTCMRZYIMX-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 2812996) is 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is TVGUKTCMRZYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-8-6-16(7-9-17)20(26)24-19-5-2-1-4-18(19)21(27)23-10-3-11-25-12-14-28-15-13-25/h1-2,4-9H,3,10-15H2,(H,23,27)(H,24,26).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[(4-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-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2812996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).