2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C18H15Cl2FN2O2 — CID 16918699

IUPAC2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-1-6-16(20)15(8-12)18(25)22-9-11-7-17(24)23(10-11)14-4-2-13(21)3-5-14/h1-6,8,11H,7,9-10H2,(H,22,25)
InChIKeySNJUQOVLTXMBSG-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.92
Rot. Bonds4

About 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 16918699) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID16918699
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-1-6-16(20)15(8-12)18(25)22-9-11-7-17(24)23(10-11)14-4-2-13(21)3-5-14/h1-6,8,11H,7,9-10H2,(H,22,25)
InChIKeySNJUQOVLTXMBSG-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-nitrobenzamide
CID 16918708
2-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918709
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40895841
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-[(4-chlorophenyl)methyl]-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913218
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918546
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 16918699) is 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is O=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is SNJUQOVLTXMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-12-1-6-16(20)15(8-12)18(25)22-9-11-7-17(24)23(10-11)14-4-2-13(21)3-5-14/h1-6,8,11H,7,9-10H2,(H,22,25).
What are the key properties of 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 381.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 16918699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).