(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C16H22FN3O2 — CID 97241968

IUPAC(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-18-15(21)14-8-4-10-20(14)16(22)19-9-3-6-12-5-2-7-13(17)11-12/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyRZYXUJMGVRVRSD-AWEZNQCLSA-N
MW307.37 g/mol
LogP1.68
Rot. Bonds5

About (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 97241968) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID97241968
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-18-15(21)14-8-4-10-20(14)16(22)19-9-3-6-12-5-2-7-13(17)11-12/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyRZYXUJMGVRVRSD-AWEZNQCLSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241938
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
(4aR,8aS)-N-[3-(3-fluorophenyl)propyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 124726323
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 97241968) is (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)[C@@H]1CCCN1C(=O)NCCCc1cccc(F)c1.
What is the InChIKey of (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is RZYXUJMGVRVRSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-18-15(21)14-8-4-10-20(14)16(22)19-9-3-6-12-5-2-7-13(17)11-12/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).