(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H21ClN2O3 — CID 35751451

IUPAC(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-2-17(13-5-7-15(20)8-6-13)21-19(24)14-10-18(23)22(11-14)12-16-4-3-9-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24)/t14-,17+/m0/s1
InChIKeyRIDZSEYRNJFEES-WMLDXEAASA-N
MW360.84 g/mol
LogP3.55
Rot. Bonds6

About (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 35751451) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID35751451
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-2-17(13-5-7-15(20)8-6-13)21-19(24)14-10-18(23)22(11-14)12-16-4-3-9-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24)/t14-,17+/m0/s1
InChIKeyRIDZSEYRNJFEES-WMLDXEAASA-N
XLogP3.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75807379
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
(3R)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124694017
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
CID 55397699
(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 124626266

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 35751451) is (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RIDZSEYRNJFEES-WMLDXEAASA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-2-17(13-5-7-15(20)8-6-13)21-19(24)14-10-18(23)22(11-14)12-16-4-3-9-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24)/t14-,17+/m0/s1.
What are the key properties of (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 35751451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).