4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C18H25FN2O2 — CID 86771871

IUPAC4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-11(2)18(23)21-9-15(13-6-5-7-14(19)8-13)16(10-21)17(22)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,20,22)
InChIKeyHOSYWWFIXHWWKP-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.55
Rot. Bonds4

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

4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 86771871) 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-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID86771871
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-11(2)18(23)21-9-15(13-6-5-7-14(19)8-13)16(10-21)17(22)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,20,22)
InChIKeyHOSYWWFIXHWWKP-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 86771871) is 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)C(C)C)CC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HOSYWWFIXHWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-11(2)18(23)21-9-15(13-6-5-7-14(19)8-13)16(10-21)17(22)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
4-(3-fluorophenyl)-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.55, 4 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-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86771871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).