N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide

C17H17ClN2O3 — CID 45215931

IUPACN-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccco1
InChIInChI=1S/C17H17ClN2O3/c18-13-4-1-3-12(9-13)6-7-20-11-14(10-16(20)21)19-17(22)15-5-2-8-23-15/h1-5,8-9,14H,6-7,10-11H2,(H,19,22)
InChIKeyWTZIGFRKMVNQRD-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.51
Rot. Bonds5

About N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide

N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 45215931) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID45215931
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccco1
InChIInChI=1S/C17H17ClN2O3/c18-13-4-1-3-12(9-13)6-7-20-11-14(10-16(20)21)19-17(22)15-5-2-8-23-15/h1-5,8-9,14H,6-7,10-11H2,(H,19,22)
InChIKeyWTZIGFRKMVNQRD-UHFFFAOYSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 42377030
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
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]-1-oxidopyridin-1-ium-3-carboxamide
CID 42384857
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 45177198
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
1-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
CID 42464310
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
CID 25396302

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide (CID 45215931) is N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide is O=C(NC1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccco1.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is WTZIGFRKMVNQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-13-4-1-3-12(9-13)6-7-20-11-14(10-16(20)21)19-17(22)15-5-2-8-23-15/h1-5,8-9,14H,6-7,10-11H2,(H,19,22).
What are the key properties of N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 45215931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).