N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C16H14Cl2N2O3 — CID 55341921

IUPACN-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-5-12(18)7-13(6-11)19-16(22)10-4-15(21)20(8-10)9-14-2-1-3-23-14/h1-3,5-7,10H,4,8-9H2,(H,19,22)
InChIKeyPPBKPNJYIDAUHP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.57
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55341921) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55341921
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-5-12(18)7-13(6-11)19-16(22)10-4-15(21)20(8-10)9-14-2-1-3-23-14/h1-3,5-7,10H,4,8-9H2,(H,19,22)
InChIKeyPPBKPNJYIDAUHP-UHFFFAOYSA-N
XLogP3.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
CID 8893980
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 55341921) is N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PPBKPNJYIDAUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-5-12(18)7-13(6-11)19-16(22)10-4-15(21)20(8-10)9-14-2-1-3-23-14/h1-3,5-7,10H,4,8-9H2,(H,19,22).
What are the key properties of N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55341921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).