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

C18H26FN3O2 — CID 71969846

IUPAC(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)21-18(24)22-11-5-9-16(22)17(23)20-10-4-7-14-6-3-8-15(19)12-14/h3,6,8,12-13,16H,4-5,7,9-11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyUJCFDAZCLLNVBN-INIZCTEOSA-N
MW335.42 g/mol
LogP2.46
Rot. Bonds6

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

(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 71969846) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID71969846
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)21-18(24)22-11-5-9-16(22)17(23)20-10-4-7-14-6-3-8-15(19)12-14/h3,6,8,12-13,16H,4-5,7,9-11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyUJCFDAZCLLNVBN-INIZCTEOSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.46
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)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241968
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410978
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 71969846) is (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cccc(F)c1.
What is the InChIKey of (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is UJCFDAZCLLNVBN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)21-18(24)22-11-5-9-16(22)17(23)20-10-4-7-14-6-3-8-15(19)12-14/h3,6,8,12-13,16H,4-5,7,9-11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71969846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).