2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H16ClFN2O2 — CID 56921121

IUPAC2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-4-3-12(16(20)11-13)10-17(23)21-14-5-7-15(8-6-14)22-9-1-2-18(22)24/h3-8,11H,1-2,9-10H2,(H,21,23)
InChIKeyKJDKOKDCNAXKNV-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 56921121) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID56921121
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-4-3-12(16(20)11-13)10-17(23)21-14-5-7-15(8-6-14)22-9-1-2-18(22)24/h3-8,11H,1-2,9-10H2,(H,21,23)
InChIKeyKJDKOKDCNAXKNV-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate
CID 8625237
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 56921121) is 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KJDKOKDCNAXKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-4-3-12(16(20)11-13)10-17(23)21-14-5-7-15(8-6-14)22-9-1-2-18(22)24/h3-8,11H,1-2,9-10H2,(H,21,23).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 346.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 56921121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).