3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide

C28H26ClFN2O3 — CID 118465284

IUPAC3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
SMILESO=C(NC1CC(c2ccccc2)C1)c1ccc(CN2CCCC2=O)c(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C28H26ClFN2O3/c29-24-11-10-23(16-25(24)30)35-26-15-19(8-9-20(26)17-32-12-4-7-27(32)33)28(34)31-22-13-21(14-22)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,31,34)
InChIKeySUJAIHHDTJXHSU-UHFFFAOYSA-N
MW492.98 g/mol
LogP6.07
Rot. Bonds7

About 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide

3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide (PubChem CID 118465284) has the molecular formula C28H26ClFN2O3 and a molecular weight of 492.98 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
PubChem CID118465284
Molecular FormulaC28H26ClFN2O3
Molecular Weight492.98 g/mol
Exact Mass492.16
IUPAC Name3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
SMILESO=C(NC1CC(c2ccccc2)C1)c1ccc(CN2CCCC2=O)c(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C28H26ClFN2O3/c29-24-11-10-23(16-25(24)30)35-26-15-19(8-9-20(26)17-32-12-4-7-27(32)33)28(34)31-22-13-21(14-22)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,31,34)
InChIKeySUJAIHHDTJXHSU-UHFFFAOYSA-N
XLogP6.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one
CID 118465711
1-[[2-(4-chloro-3-fluorophenoxy)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454375
1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454367
1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
CID 118465787
4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
CID 118454086
3-[4-(oxan-4-ylcarbamoyl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 144948142
3-[4-[cyclopropyl(methyl)carbamoyl]phenoxy]-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123212836
4-(4-chloro-3-fluorophenoxy)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]benzaldehyde
CID 118454142
3-[(6-methylsulfonyl-3-pyridinyl)oxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 118454102
1-[[2-(4-chloro-3-fluorophenoxy)-4-[3-(1-methylsulfinylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidin-2-one
CID 144948219
1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118465788
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123598029

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide?
The IUPAC name of 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide (CID 118465284) is 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide is O=C(NC1CC(c2ccccc2)C1)c1ccc(CN2CCCC2=O)c(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide?
The InChIKey is SUJAIHHDTJXHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN2O3/c29-24-11-10-23(16-25(24)30)35-26-15-19(8-9-20(26)17-32-12-4-7-27(32)33)28(34)31-22-13-21(14-22)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,31,34).
What are the key properties of 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide?
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide has a molecular weight of 492.98 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide is sourced from PubChem (CID 118465284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).