(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

C17H18Cl2N2O2 — CID 68608519

IUPAC(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)o1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-12-3-1-11(2-4-12)14-9-20-10-15(14)17(22)21-8-7-13-5-6-16(19)23-13/h1-6,14-15,20H,7-10H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyVJAILFZLBKDISV-LSDHHAIUSA-N
MW353.25 g/mol
LogP3.25
Rot. Bonds5

About (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 68608519) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
PubChem CID68608519
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)o1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-12-3-1-11(2-4-12)14-9-20-10-15(14)17(22)21-8-7-13-5-6-16(19)23-13/h1-6,14-15,20H,7-10H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyVJAILFZLBKDISV-LSDHHAIUSA-N
XLogP3.25
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 68794624
(3S,4R)-N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 138004449
4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42680028
(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
CID 125117368
(3R,4S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925968
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
(3R,4S)-N-[2-(1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934549
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (CID 68608519) is (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccc(Cl)o1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is VJAILFZLBKDISV-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-12-3-1-11(2-4-12)14-9-20-10-15(14)17(22)21-8-7-13-5-6-16(19)23-13/h1-6,14-15,20H,7-10H2,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
(3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-[2-(5-chlorofuran-2-yl)ethyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 68608519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).