N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide

C22H33FN2O2 — CID 166843631

IUPACN-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCC(C)NC(=O)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H33FN2O2/c1-3-4-5-6-7-8-10-17(2)24-21(26)20-11-9-16-25(20)22(27)18-12-14-19(23)15-13-18/h12-15,17,20H,3-11,16H2,1-2H3,(H,24,26)
InChIKeyDVYXVWNRVHMXSF-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.69
Rot. Bonds10

About N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide

N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 166843631) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID166843631
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC NameN-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCC(C)NC(=O)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H33FN2O2/c1-3-4-5-6-7-8-10-17(2)24-21(26)20-11-9-16-25(20)22(27)18-12-14-19(23)15-13-18/h12-15,17,20H,3-11,16H2,1-2H3,(H,24,26)
InChIKeyDVYXVWNRVHMXSF-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(2R)-4-cyclohexylbutan-2-yl]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 166843620
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119667208
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
ethyl 2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54117354
1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50829892
1-(4-bromobenzoyl)-N-[(2S)-1-hydroxybutan-2-yl]pyrrolidine-2-carboxamide
CID 86803364
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299

Frequently Asked Questions

What is the IUPAC name of N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 166843631) is N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide is CCCCCCCCC(C)NC(=O)C1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is DVYXVWNRVHMXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O2/c1-3-4-5-6-7-8-10-17(2)24-21(26)20-11-9-16-25(20)22(27)18-12-14-19(23)15-13-18/h12-15,17,20H,3-11,16H2,1-2H3,(H,24,26).
What are the key properties of N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166843631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).