(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

C23H22Cl2F2N2O2 — CID 51037696

IUPAC(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
SMILESO=C([C@H]1CNCCC12OCc1cc(F)c(F)cc12)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C23H22Cl2F2N2O2/c24-18-4-1-13(7-19(18)25)11-29(15-2-3-15)22(30)17-10-28-6-5-23(17)16-9-21(27)20(26)8-14(16)12-31-23/h1,4,7-9,15,17,28H,2-3,5-6,10-12H2/t17-,23?/m1/s1
InChIKeyOWLDPSLRLGKULE-LIXIDFRTSA-N
MW467.34 g/mol
LogP4.80
Rot. Bonds4

About (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide (PubChem CID 51037696) has the molecular formula C23H22Cl2F2N2O2 and a molecular weight of 467.34 g/mol. Its IUPAC name is (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide.

Molecular Properties

Compound Name(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
PubChem CID51037696
Molecular FormulaC23H22Cl2F2N2O2
Molecular Weight467.34 g/mol
Exact Mass466.10
IUPAC Name(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
SMILESO=C([C@H]1CNCCC12OCc1cc(F)c(F)cc12)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C23H22Cl2F2N2O2/c24-18-4-1-13(7-19(18)25)11-29(15-2-3-15)22(30)17-10-28-6-5-23(17)16-9-21(27)20(26)8-14(16)12-31-23/h1,4,7-9,15,17,28H,2-3,5-6,10-12H2/t17-,23?/m1/s1
InChIKeyOWLDPSLRLGKULE-LIXIDFRTSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide 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 (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide?
The IUPAC name of (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide (CID 51037696) is (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide.
What is the SMILES notation for (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide?
The canonical SMILES for (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide is O=C([C@H]1CNCCC12OCc1cc(F)c(F)cc12)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide?
The InChIKey is OWLDPSLRLGKULE-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H22Cl2F2N2O2/c24-18-4-1-13(7-19(18)25)11-29(15-2-3-15)22(30)17-10-28-6-5-23(17)16-9-21(27)20(26)8-14(16)12-31-23/h1,4,7-9,15,17,28H,2-3,5-6,10-12H2/t17-,23?/m1/s1.
What are the key properties of (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide?
(3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide has a molecular weight of 467.34 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide is sourced from PubChem (CID 51037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).