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

C19H21ClN2O3 — CID 75807379

IUPACN-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-2-17(13-5-3-6-15(20)9-13)21-19(24)14-10-18(23)22(11-14)12-16-7-4-8-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24)
InChIKeyPPRYNDDDXPIHSV-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.55
Rot. Bonds6

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

N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75807379) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75807379
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-2-17(13-5-3-6-15(20)9-13)21-19(24)14-10-18(23)22(11-14)12-16-7-4-8-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24)
InChIKeyPPRYNDDDXPIHSV-UHFFFAOYSA-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

(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55715320
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
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
(3R)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124694017
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75429899
(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 75807379) is N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PPRYNDDDXPIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-2-17(13-5-3-6-15(20)9-13)21-19(24)14-10-18(23)22(11-14)12-16-7-4-8-25-16/h3-9,14,17H,2,10-12H2,1H3,(H,21,24).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(3-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 N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75807379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).