4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide

C22H20F2N2O — CID 45271882

IUPAC4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O/c23-19-6-3-16(4-7-19)22(27)25-21-9-10-26(14-21)13-15-1-2-18-12-20(24)8-5-17(18)11-15/h1-8,11-12,21H,9-10,13-14H2,(H,25,27)/t21-/m1/s1
InChIKeyGBEZOOMNAQDDIS-OAQYLSRUSA-N
MW366.41 g/mol
LogP4.12
Rot. Bonds4

About 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide

4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 45271882) has the molecular formula C22H20F2N2O and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID45271882
Molecular FormulaC22H20F2N2O
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O/c23-19-6-3-16(4-7-19)22(27)25-21-9-10-26(14-21)13-15-1-2-18-12-20(24)8-5-17(18)11-15/h1-8,11-12,21H,9-10,13-14H2,(H,25,27)/t21-/m1/s1
InChIKeyGBEZOOMNAQDDIS-OAQYLSRUSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide (CID 45271882) is 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is GBEZOOMNAQDDIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20F2N2O/c23-19-6-3-16(4-7-19)22(27)25-21-9-10-26(14-21)13-15-1-2-18-12-20(24)8-5-17(18)11-15/h1-8,11-12,21H,9-10,13-14H2,(H,25,27)/t21-/m1/s1.
What are the key properties of 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide?
4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 366.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45271882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).