(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

C17H24FN3O2 — CID 95287372

IUPAC(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-20(2)17(23)15-9-5-11-21(15)12-6-10-19-16(22)13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyFJCBFWGAGWDVJW-HNNXBMFYSA-N
MW321.40 g/mol
LogP1.50
Rot. Bonds6

About (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 95287372) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID95287372
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-20(2)17(23)15-9-5-11-21(15)12-6-10-19-16(22)13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyFJCBFWGAGWDVJW-HNNXBMFYSA-N
XLogP1.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95298954
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
1-[3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111684737
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435
(2R)-N,N-dimethyl-1-[3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481387
N,N-dimethyl-1-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide;hydroiodide
CID 111198565
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
N-[3-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 51134153

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 95287372) is (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is FJCBFWGAGWDVJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20(2)17(23)15-9-5-11-21(15)12-6-10-19-16(22)13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95287372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).