N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide

C21H23FN2O3 — CID 3245354

IUPACN-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O3/c1-15(2)27-19-11-5-16(6-12-19)21(26)24(14-23-13-3-4-20(23)25)18-9-7-17(22)8-10-18/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyWPPDLLUCNHJBTG-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.84
Rot. Bonds6

About N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide

N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 3245354) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID3245354
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O3/c1-15(2)27-19-11-5-16(6-12-19)21(26)24(14-23-13-3-4-20(23)25)18-9-7-17(22)8-10-18/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyWPPDLLUCNHJBTG-UHFFFAOYSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide (CID 3245354) is N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is WPPDLLUCNHJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-15(2)27-19-11-5-16(6-12-19)21(26)24(14-23-13-3-4-20(23)25)18-9-7-17(22)8-10-18/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide?
N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 370.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 3245354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).