N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide

C19H18ClFN2O2 — CID 166374685

IUPACN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-2-12-3-5-13(6-4-12)19(25)22-14-9-18(24)23(11-14)15-7-8-16(20)17(21)10-15/h3-8,10,14H,2,9,11H2,1H3,(H,22,25)
InChIKeyZKXJUZZNAPVZFL-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide (PubChem CID 166374685) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
PubChem CID166374685
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-2-12-3-5-13(6-4-12)19(25)22-14-9-18(24)23(11-14)15-7-8-16(20)17(21)10-15/h3-8,10,14H,2,9,11H2,1H3,(H,22,25)
InChIKeyZKXJUZZNAPVZFL-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
CID 167829897
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 138996663
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide (CID 166374685) is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide is CCc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide?
The InChIKey is ZKXJUZZNAPVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-2-12-3-5-13(6-4-12)19(25)22-14-9-18(24)23(11-14)15-7-8-16(20)17(21)10-15/h3-8,10,14H,2,9,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide?
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide has a molecular weight of 360.82 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide is sourced from PubChem (CID 166374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).