4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide

C18H25FN2O2 — CID 86768104

IUPAC4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-4-8-20-17(22)16-11-21(18(23)12(2)3)10-15(16)13-6-5-7-14(19)9-13/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3,(H,20,22)
InChIKeyBNZVGXOTAXCMIH-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.55
Rot. Bonds5

About 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide

4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 86768104) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID86768104
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-4-8-20-17(22)16-11-21(18(23)12(2)3)10-15(16)13-6-5-7-14(19)9-13/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3,(H,20,22)
InChIKeyBNZVGXOTAXCMIH-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide (CID 86768104) is 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is BNZVGXOTAXCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-4-8-20-17(22)16-11-21(18(23)12(2)3)10-15(16)13-6-5-7-14(19)9-13/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide?
4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86768104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).