(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

C25H22Cl2N2O4 — CID 155254696

IUPAC(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@H](C(=O)NC23CC(N4CCC(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21
InChIInChI=1S/C25H22Cl2N2O4/c26-15-3-1-14(2-4-15)17-7-8-29(23(17)32)25-11-24(12-25,13-25)28-22(31)21-10-19(30)18-9-16(27)5-6-20(18)33-21/h1-6,9,17,21H,7-8,10-13H2,(H,28,31)/t17?,21-,24?,25?/m1/s1
InChIKeyINQMFDMZOCYCOZ-AZEJCVEOSA-N
MW485.37 g/mol
LogP4.13
Rot. Bonds4

About (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 155254696) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID155254696
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC Name(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@H](C(=O)NC23CC(N4CCC(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21
InChIInChI=1S/C25H22Cl2N2O4/c26-15-3-1-14(2-4-15)17-7-8-29(23(17)32)25-11-24(12-25,13-25)28-22(31)21-10-19(30)18-9-16(27)5-6-20(18)33-21/h1-6,9,17,21H,7-8,10-13H2,(H,28,31)/t17?,21-,24?,25?/m1/s1
InChIKeyINQMFDMZOCYCOZ-AZEJCVEOSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254274
6-chloro-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716953
(2R)-6-chloro-N-[3-[4-(3,4-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254288
(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
[(2S)-4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155256863
(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 42220830
tert-butyl N-[(2R)-4-[[(2S)-6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamate
CID 155634448
(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716998
(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
CID 26415416
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 163445519
(2S)-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6,7-difluoro-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155257050
(2R)-N-(4-aminocyclohexyl)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxamide;benzyl N-(4-aminocyclohexyl)carbamate
CID 162064184

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 155254696) is (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is O=C1C[C@H](C(=O)NC23CC(N4CCC(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21.
What is the InChIKey of (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is INQMFDMZOCYCOZ-AZEJCVEOSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c26-15-3-1-14(2-4-15)17-7-8-29(23(17)32)25-11-24(12-25,13-25)28-22(31)21-10-19(30)18-9-16(27)5-6-20(18)33-21/h1-6,9,17,21H,7-8,10-13H2,(H,28,31)/t17?,21-,24?,25?/m1/s1.
What are the key properties of (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 485.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 155254696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).