N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide

C24H26ClFN4O3 — CID 44962564

IUPACN-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H26ClFN4O3/c25-19-3-7-21(8-4-19)30-16-18(15-22(30)31)24(33)29-13-11-28(12-14-29)10-9-27-23(32)17-1-5-20(26)6-2-17/h1-8,18H,9-16H2,(H,27,32)
InChIKeySXIDJXSNPRCQOJ-UHFFFAOYSA-N
MW472.95 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide

N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 44962564) has the molecular formula C24H26ClFN4O3 and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID44962564
Molecular FormulaC24H26ClFN4O3
Molecular Weight472.95 g/mol
Exact Mass472.17
IUPAC NameN-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H26ClFN4O3/c25-19-3-7-21(8-4-19)30-16-18(15-22(30)31)24(33)29-13-11-28(12-14-29)10-9-27-23(32)17-1-5-20(26)6-2-17/h1-8,18H,9-16H2,(H,27,32)
InChIKeySXIDJXSNPRCQOJ-UHFFFAOYSA-N
XLogP2.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[4-[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 44962409
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-(4-chlorophenyl)-4-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561640
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide (CID 44962564) is N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is SXIDJXSNPRCQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O3/c25-19-3-7-21(8-4-19)30-16-18(15-22(30)31)24(33)29-13-11-28(12-14-29)10-9-27-23(32)17-1-5-20(26)6-2-17/h1-8,18H,9-16H2,(H,27,32).
What are the key properties of N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 472.95 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 44962564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).