(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one

C17H19ClN2O2 — CID 25396302

IUPAC(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C[C@@H](NCc2ccoc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c18-15-3-1-2-13(8-15)4-6-20-11-16(9-17(20)21)19-10-14-5-7-22-12-14/h1-3,5,7-8,12,16,19H,4,6,9-11H2/t16-/m1/s1
InChIKeyFYLPSGVHHJTFRS-MRXNPFEDSA-N
MW318.80 g/mol
LogP2.87
Rot. Bonds6

About (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one

(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 25396302) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
PubChem CID25396302
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C[C@@H](NCc2ccoc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c18-15-3-1-2-13(8-15)4-6-20-11-16(9-17(20)21)19-10-14-5-7-22-12-14/h1-3,5,7-8,12,16,19H,4,6,9-11H2/t16-/m1/s1
InChIKeyFYLPSGVHHJTFRS-MRXNPFEDSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42521409
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 45226939
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 45215931
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one (CID 25396302) is (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one is O=C1C[C@@H](NCc2ccoc2)CN1CCc1cccc(Cl)c1.
What is the InChIKey of (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is FYLPSGVHHJTFRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-15-3-1-2-13(8-15)4-6-20-11-16(9-17(20)21)19-10-14-5-7-22-12-14/h1-3,5,7-8,12,16,19H,4,6,9-11H2/t16-/m1/s1.
What are the key properties of (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one?
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 318.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 25396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).