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

C23H25F2N3O4 — CID 154961367

IUPAC3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCc1cccc(F)c1)C1CN(C(=O)O)CC1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C23H25F2N3O4/c24-17-5-1-3-15(11-17)7-9-26-21(29)19-13-28(23(31)32)14-20(19)22(30)27-10-8-16-4-2-6-18(25)12-16/h1-6,11-12,19-20H,7-10,13-14H2,(H,26,29)(H,27,30)(H,31,32)
InChIKeyWQMIJOWNAOAETG-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.21
Rot. Bonds8

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

3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 154961367) has the molecular formula C23H25F2N3O4 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID154961367
Molecular FormulaC23H25F2N3O4
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCc1cccc(F)c1)C1CN(C(=O)O)CC1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C23H25F2N3O4/c24-17-5-1-3-15(11-17)7-9-26-21(29)19-13-28(23(31)32)14-20(19)22(30)27-10-8-16-4-2-6-18(25)12-16/h1-6,11-12,19-20H,7-10,13-14H2,(H,26,29)(H,27,30)(H,31,32)
InChIKeyWQMIJOWNAOAETG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis[2-(4-phenylphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961336
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
(3R,4R)-1-[4-[(3R,4R)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]benzoyl]-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 145434363
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[2-(3-fluorophenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157335
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
1-[2-(3-fluorophenyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61200985

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (CID 154961367) is 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid is O=C(NCCc1cccc(F)c1)C1CN(C(=O)O)CC1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is WQMIJOWNAOAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O4/c24-17-5-1-3-15(11-17)7-9-26-21(29)19-13-28(23(31)32)14-20(19)22(30)27-10-8-16-4-2-6-18(25)12-16/h1-6,11-12,19-20H,7-10,13-14H2,(H,26,29)(H,27,30)(H,31,32).
What are the key properties of 3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid?
3,4-bis[2-(3-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-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154961367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).