N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

C21H17FN2O2 — CID 18573383

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H17FN2O2/c22-15-8-10-17(11-9-15)24-13-16(12-20(24)25)23-21(26)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26)
InChIKeySKYDEZKUAFIFQR-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 18573383) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID18573383
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C21H17FN2O2/c22-15-8-10-17(11-9-15)24-13-16(12-20(24)25)23-21(26)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26)
InChIKeySKYDEZKUAFIFQR-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (CID 18573383) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is O=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is SKYDEZKUAFIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-15-8-10-17(11-9-15)24-13-16(12-20(24)25)23-21(26)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26).
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 18573383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).