N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide

C24H25ClN2O2 — CID 141147787

IUPACN-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(Cl)cc1)C[C@H]1CNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H25ClN2O2/c25-22-10-8-19(9-11-22)16-27(24(28)23-7-4-12-29-23)17-21-15-26-14-20(21)13-18-5-2-1-3-6-18/h1-12,20-21,26H,13-17H2/t20-,21+/m0/s1
InChIKeyAROMQYIFEOQWSY-LEWJYISDSA-N
MW408.93 g/mol
LogP4.65
Rot. Bonds7

About N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide

N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide (PubChem CID 141147787) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide
PubChem CID141147787
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(Cl)cc1)C[C@H]1CNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H25ClN2O2/c25-22-10-8-19(9-11-22)16-27(24(28)23-7-4-12-29-23)17-21-15-26-14-20(21)13-18-5-2-1-3-6-18/h1-12,20-21,26H,13-17H2/t20-,21+/m0/s1
InChIKeyAROMQYIFEOQWSY-LEWJYISDSA-N
XLogP4.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide (CID 141147787) is N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccc(Cl)cc1)C[C@H]1CNC[C@@H]1Cc1ccccc1.
What is the InChIKey of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide?
The InChIKey is AROMQYIFEOQWSY-LEWJYISDSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-22-10-8-19(9-11-22)16-27(24(28)23-7-4-12-29-23)17-21-15-26-14-20(21)13-18-5-2-1-3-6-18/h1-12,20-21,26H,13-17H2/t20-,21+/m0/s1.
What are the key properties of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide?
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 141147787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).