2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide

C24H27F2N3O4 — CID 93196379

IUPAC2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H27F2N3O4/c1-33-15-12-27-23(31)21(28-22(30)17-6-2-4-8-19(17)25)16-10-13-29(14-11-16)24(32)18-7-3-5-9-20(18)26/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyKYDSWAHLCRZFBV-OAQYLSRUSA-N
MW459.49 g/mol
LogP2.38
Rot. Bonds8

About 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide

2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide (PubChem CID 93196379) has the molecular formula C24H27F2N3O4 and a molecular weight of 459.49 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
PubChem CID93196379
Molecular FormulaC24H27F2N3O4
Molecular Weight459.49 g/mol
Exact Mass459.20
IUPAC Name2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H27F2N3O4/c1-33-15-12-27-23(31)21(28-22(30)17-6-2-4-8-19(17)25)16-10-13-29(14-11-16)24(32)18-7-3-5-9-20(18)26/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyKYDSWAHLCRZFBV-OAQYLSRUSA-N
XLogP2.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.38
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

2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840204
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 93196493
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 46019075
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 93196483
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020543
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methoxybenzamide
CID 46019816
2-fluoro-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
CID 42840212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide (CID 93196379) is 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide is COCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The InChIKey is KYDSWAHLCRZFBV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27F2N3O4/c1-33-15-12-27-23(31)21(28-22(30)17-6-2-4-8-19(17)25)16-10-13-29(14-11-16)24(32)18-7-3-5-9-20(18)26/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide has a molecular weight of 459.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93196379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).