(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide

C24H23FN2O — CID 45269392

IUPAC(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H23FN2O/c25-22-10-9-20-14-19(6-8-21(20)15-22)16-27-13-12-23(17-27)26-24(28)11-7-18-4-2-1-3-5-18/h1-11,14-15,23H,12-13,16-17H2,(H,26,28)/b11-7+/t23-/m1/s1
InChIKeyDXMGONNADLQMGE-GULCCPCXSA-N
MW374.46 g/mol
LogP4.38
Rot. Bonds5

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

(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 45269392) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID45269392
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H23FN2O/c25-22-10-9-20-14-19(6-8-21(20)15-22)16-27-13-12-23(17-27)26-24(28)11-7-18-4-2-1-3-5-18/h1-11,14-15,23H,12-13,16-17H2,(H,26,28)/b11-7+/t23-/m1/s1
InChIKeyDXMGONNADLQMGE-GULCCPCXSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide 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 (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 45269392) is (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is DXMGONNADLQMGE-GULCCPCXSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-22-10-9-20-14-19(6-8-21(20)15-22)16-27-13-12-23(17-27)26-24(28)11-7-18-4-2-1-3-5-18/h1-11,14-15,23H,12-13,16-17H2,(H,26,28)/b11-7+/t23-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide?
(E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 374.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 45269392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).