1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C17H23FN2O2 — CID 42680926

IUPAC1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCC(C)C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-11(2)8-19-17(22)16-10-20(12(3)21)9-15(16)13-4-6-14(18)7-5-13/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,22)
InChIKeyIGKICTXGEOINQR-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.16
Rot. Bonds4

About 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42680926) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42680926
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCC(C)C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-11(2)8-19-17(22)16-10-20(12(3)21)9-15(16)13-4-6-14(18)7-5-13/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,22)
InChIKeyIGKICTXGEOINQR-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42680926) is 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(=O)N1CC(C(=O)NCC(C)C)C(c2ccc(F)cc2)C1.
What is the InChIKey of 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is IGKICTXGEOINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11(2)8-19-17(22)16-10-20(12(3)21)9-15(16)13-4-6-14(18)7-5-13/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).