N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide

C28H25FN2O — CID 45267629

IUPACN-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H25FN2O/c29-24-13-12-22-16-20(10-11-23(22)17-24)18-31-15-14-25(19-31)30-28(32)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-19H2,(H,30,32)/t25-/m1/s1
InChIKeyFGPQEWJLDPWKKV-RUZDIDTESA-N
MW424.52 g/mol
LogP5.65
Rot. Bonds5

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

N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide (PubChem CID 45267629) has the molecular formula C28H25FN2O and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
PubChem CID45267629
Molecular FormulaC28H25FN2O
Molecular Weight424.52 g/mol
Exact Mass424.20
IUPAC NameN-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H25FN2O/c29-24-13-12-22-16-20(10-11-23(22)17-24)18-31-15-14-25(19-31)30-28(32)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-19H2,(H,30,32)/t25-/m1/s1
InChIKeyFGPQEWJLDPWKKV-RUZDIDTESA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The IUPAC name of N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide (CID 45267629) is N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide is O=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
The InChIKey is FGPQEWJLDPWKKV-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25FN2O/c29-24-13-12-22-16-20(10-11-23(22)17-24)18-31-15-14-25(19-31)30-28(32)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-19H2,(H,30,32)/t25-/m1/s1.
What are the key properties of N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide?
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide has a molecular weight of 424.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide is sourced from PubChem (CID 45267629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).