3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid

C23H25F2N3O4 — CID 154961274

IUPAC3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCc1ccccc1F)C1CN(C(=O)O)CC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C23H25F2N3O4/c24-19-7-3-1-5-15(19)9-11-26-21(29)17-13-28(23(31)32)14-18(17)22(30)27-12-10-16-6-2-4-8-20(16)25/h1-8,17-18H,9-14H2,(H,26,29)(H,27,30)(H,31,32)
InChIKeyAYLDXPPDQYIKSE-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.21
Rot. Bonds8

About 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid

3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 154961274) has the molecular formula C23H25F2N3O4 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID154961274
Molecular FormulaC23H25F2N3O4
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCc1ccccc1F)C1CN(C(=O)O)CC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C23H25F2N3O4/c24-19-7-3-1-5-15(19)9-11-26-21(29)17-13-28(23(31)32)14-18(17)22(30)27-12-10-16-6-2-4-8-20(16)25/h1-8,17-18H,9-14H2,(H,26,29)(H,27,30)(H,31,32)
InChIKeyAYLDXPPDQYIKSE-UHFFFAOYSA-N
XLogP2.21
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961367
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47014220
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109134337

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (CID 154961274) is 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid is O=C(NCCc1ccccc1F)C1CN(C(=O)O)CC1C(=O)NCCc1ccccc1F.
What is the InChIKey of 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is AYLDXPPDQYIKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O4/c24-19-7-3-1-5-15(19)9-11-26-21(29)17-13-28(23(31)32)14-18(17)22(30)27-12-10-16-6-2-4-8-20(16)25/h1-8,17-18H,9-14H2,(H,26,29)(H,27,30)(H,31,32).
What are the key properties of 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 445.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154961274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).