(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

C24H21Cl2N3O4 — CID 155254274

IUPAC(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
SMILESO=C1C[C@H](C(=O)NC23CC(N4CCN(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21
InChIInChI=1S/C24H21Cl2N3O4/c25-14-1-4-16(5-2-14)28-7-8-29(22(28)32)24-11-23(12-24,13-24)27-21(31)20-10-18(30)17-9-15(26)3-6-19(17)33-20/h1-6,9,20H,7-8,10-13H2,(H,27,31)/t20-,23?,24?/m1/s1
InChIKeyMADAVIFUMQZICH-QUVATAORSA-N
MW486.36 g/mol
LogP4.06
Rot. Bonds4

About (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

(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 (PubChem CID 155254274) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155254274
Molecular FormulaC24H21Cl2N3O4
Molecular Weight486.36 g/mol
Exact Mass485.09
IUPAC Name(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
SMILESO=C1C[C@H](C(=O)NC23CC(N4CCN(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21
InChIInChI=1S/C24H21Cl2N3O4/c25-14-1-4-16(5-2-14)28-7-8-29(22(28)32)24-11-23(12-24,13-24)27-21(31)20-10-18(30)17-9-15(26)3-6-19(17)33-20/h1-6,9,20H,7-8,10-13H2,(H,27,31)/t20-,23?,24?/m1/s1
InChIKeyMADAVIFUMQZICH-QUVATAORSA-N
XLogP4.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
N-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155093034
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
[(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-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
(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
(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
CID 26415416
(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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1C[C@H](C(=O)NC23CC(N4CCN(c5ccc(Cl)cc5)C4=O)(C2)C3)Oc2ccc(Cl)cc21.
What is the InChIKey of (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?
The InChIKey is MADAVIFUMQZICH-QUVATAORSA-N. The full InChI is InChI=1S/C24H21Cl2N3O4/c25-14-1-4-16(5-2-14)28-7-8-29(22(28)32)24-11-23(12-24,13-24)27-21(31)20-10-18(30)17-9-15(26)3-6-19(17)33-20/h1-6,9,20H,7-8,10-13H2,(H,27,31)/t20-,23?,24?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 486.36 g/mol, XLogP of 4.06, 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-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 155254274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).