[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone

C23H25FN2O2 — CID 110607627

IUPAC[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C23H25FN2O2/c24-19-11-5-4-10-18(19)16-25-14-6-13-21(25)23(28)26-15-7-12-20(26)22(27)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2
InChIKeyOVOGKBZVXPBJDJ-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.66
Rot. Bonds5

About [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone

[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone (PubChem CID 110607627) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
PubChem CID110607627
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C23H25FN2O2/c24-19-11-5-4-10-18(19)16-25-14-6-13-21(25)23(28)26-15-7-12-20(26)22(27)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2
InChIKeyOVOGKBZVXPBJDJ-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 110624429
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110620905
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone (CID 110607627) is [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone is O=C(c1ccccc1)C1CCCN1C(=O)C1CCCN1Cc1ccccc1F.
What is the InChIKey of [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is OVOGKBZVXPBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-19-11-5-4-10-18(19)16-25-14-6-13-21(25)23(28)26-15-7-12-20(26)22(27)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2.
What are the key properties of [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone has a molecular weight of 380.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 110607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).