2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide

C62H56Cl2N14O14 — CID 143747756

IUPAC2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(-c3ccc4c(N5C(=O)N(CC(=O)N/N=C/C=C/c6ccc([N+](=O)[O-])o6)C(C)(C)C5N(O)C(=O)Nc5cccc6ccccc56)cccc4c3)c2)N(c2ccc(Cl)cc2)C(=O)N1CC(O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C62H56Cl2N14O14/c1-61(2)55(73(42-23-20-40(63)21-24-42)59(83)71(61)35-51(79)69-65-31-9-14-43-25-29-53(91-43)77(87)88)75(85)57(81)67-41-22-28-48(64)47(34-41)39-19-27-46-38(33-39)13-8-18-50(46)74-56(76(86)58(82)68-49-17-7-12-37-11-5-6-16-45(37)49)62(3,4)72(60(74)84)36-52(80)70-66-32-10-15-44-26-30-54(92-44)78(89)90/h5-34,51,55-56,69,79,85-86H,35-36H2,1-4H3,(H,67,81)(H,68,82)(H,70,80)/b14-9+,15-10+,65-31+,66-32+
InChIKeyBMNPKHCEYXAJHL-SVHCFWEASA-N
MW1292.12 g/mol
LogP11.93
Rot. Bonds20

About 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide

2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide (PubChem CID 143747756) has the molecular formula C62H56Cl2N14O14 and a molecular weight of 1292.12 g/mol. Its IUPAC name is 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
PubChem CID143747756
Molecular FormulaC62H56Cl2N14O14
Molecular Weight1292.12 g/mol
Exact Mass1290.35
IUPAC Name2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(-c3ccc4c(N5C(=O)N(CC(=O)N/N=C/C=C/c6ccc([N+](=O)[O-])o6)C(C)(C)C5N(O)C(=O)Nc5cccc6ccccc56)cccc4c3)c2)N(c2ccc(Cl)cc2)C(=O)N1CC(O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C62H56Cl2N14O14/c1-61(2)55(73(42-23-20-40(63)21-24-42)59(83)71(61)35-51(79)69-65-31-9-14-43-25-29-53(91-43)77(87)88)75(85)57(81)67-41-22-28-48(64)47(34-41)39-19-27-46-38(33-39)13-8-18-50(46)74-56(76(86)58(82)68-49-17-7-12-37-11-5-6-16-45(37)49)62(3,4)72(60(74)84)36-52(80)70-66-32-10-15-44-26-30-54(92-44)78(89)90/h5-34,51,55-56,69,79,85-86H,35-36H2,1-4H3,(H,67,81)(H,68,82)(H,70,80)/b14-9+,15-10+,65-31+,66-32+
InChIKeyBMNPKHCEYXAJHL-SVHCFWEASA-N
XLogP11.93
TPSA350.88 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001292.12
LogP ≤ 511.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide (CID 143747756) is 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide is CC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(-c3ccc4c(N5C(=O)N(CC(=O)N/N=C/C=C/c6ccc([N+](=O)[O-])o6)C(C)(C)C5N(O)C(=O)Nc5cccc6ccccc56)cccc4c3)c2)N(c2ccc(Cl)cc2)C(=O)N1CC(O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide?
The InChIKey is BMNPKHCEYXAJHL-SVHCFWEASA-N. The full InChI is InChI=1S/C62H56Cl2N14O14/c1-61(2)55(73(42-23-20-40(63)21-24-42)59(83)71(61)35-51(79)69-65-31-9-14-43-25-29-53(91-43)77(87)88)75(85)57(81)67-41-22-28-48(64)47(34-41)39-19-27-46-38(33-39)13-8-18-50(46)74-56(76(86)58(82)68-49-17-7-12-37-11-5-6-16-45(37)49)62(3,4)72(60(74)84)36-52(80)70-66-32-10-15-44-26-30-54(92-44)78(89)90/h5-34,51,55-56,69,79,85-86H,35-36H2,1-4H3,(H,67,81)(H,68,82)(H,70,80)/b14-9+,15-10+,65-31+,66-32+.
What are the key properties of 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide?
2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide has a molecular weight of 1292.12 g/mol, XLogP of 11.93, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 143747756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).