2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide

C19H27F2N3O3 — CID 51192724

IUPAC2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
SMILESCC(C)(CNC(=O)CCCNC(=O)c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C19H27F2N3O3/c1-19(2,24-8-10-27-11-9-24)13-23-17(25)4-3-7-22-18(26)15-6-5-14(20)12-16(15)21/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyVOTSKBKYLIRZTC-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.70
Rot. Bonds8

About 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide (PubChem CID 51192724) has the molecular formula C19H27F2N3O3 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
PubChem CID51192724
Molecular FormulaC19H27F2N3O3
Molecular Weight383.44 g/mol
Exact Mass383.20
IUPAC Name2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
SMILESCC(C)(CNC(=O)CCCNC(=O)c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C19H27F2N3O3/c1-19(2,24-8-10-27-11-9-24)13-23-17(25)4-3-7-22-18(26)15-6-5-14(20)12-16(15)21/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyVOTSKBKYLIRZTC-UHFFFAOYSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.70
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

3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
CID 55658381
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
CID 61250344
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide (CID 51192724) is 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide is CC(C)(CNC(=O)CCCNC(=O)c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide?
The InChIKey is VOTSKBKYLIRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3/c1-19(2,24-8-10-27-11-9-24)13-23-17(25)4-3-7-22-18(26)15-6-5-14(20)12-16(15)21/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide has a molecular weight of 383.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51192724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).