4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H18Cl2N2O3 — CID 9297692

IUPAC4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-4-6-15(7-5-14)26-11-9-22-19(25)13-3-8-16(21)17(12-13)23-10-1-2-18(23)24/h3-8,12H,1-2,9-11H2,(H,22,25)
InChIKeyVDEFFXDWNCPDME-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.93
Rot. Bonds6

About 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9297692) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9297692
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-4-6-15(7-5-14)26-11-9-22-19(25)13-3-8-16(21)17(12-13)23-10-1-2-18(23)24/h3-8,12H,1-2,9-11H2,(H,22,25)
InChIKeyVDEFFXDWNCPDME-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9163408
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581429
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 154773860
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26126122
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9297692) is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VDEFFXDWNCPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-14-4-6-15(7-5-14)26-11-9-22-19(25)13-3-8-16(21)17(12-13)23-10-1-2-18(23)24/h3-8,12H,1-2,9-11H2,(H,22,25).
What are the key properties of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 393.27 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9297692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).