2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide

C30H26F6N6O7 — CID 123871845

IUPAC2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)C(C(O)C(=O)Nc2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C30H26F6N6O7/c1-28(2)25(24(44)26(45)38-19-9-5-17(6-10-19)29(31,32)33)41(20-11-7-18(8-12-20)30(34,35)36)27(46)40(28)16-22(43)39-37-15-3-4-21-13-14-23(49-21)42(47)48/h3-15,24-25,44H,16H2,1-2H3,(H,38,45)(H,39,43)
InChIKeyFJQCBGMKCYCWKA-UHFFFAOYSA-N
MW696.56 g/mol
LogP5.43
Rot. Bonds10

About 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide

2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 123871845) has the molecular formula C30H26F6N6O7 and a molecular weight of 696.56 g/mol. Its IUPAC name is 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID123871845
Molecular FormulaC30H26F6N6O7
Molecular Weight696.56 g/mol
Exact Mass696.18
IUPAC Name2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)C(C(O)C(=O)Nc2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C30H26F6N6O7/c1-28(2)25(24(44)26(45)38-19-9-5-17(6-10-19)29(31,32)33)41(20-11-7-18(8-12-20)30(34,35)36)27(46)40(28)16-22(43)39-37-15-3-4-21-13-14-23(49-21)42(47)48/h3-15,24-25,44H,16H2,1-2H3,(H,38,45)(H,39,43)
InChIKeyFJQCBGMKCYCWKA-UHFFFAOYSA-N
XLogP5.43
TPSA170.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.56
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide 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

2-[4-[hydroxy-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-5,5-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide
CID 123689799
2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
CID 134140577
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
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
CID 6146777
5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
CID 23424385
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 89261821
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-nitrofuran-2-carboxylate
CID 4851597
3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide
CID 54287634
4-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-1-oxo-2H-isoquinoline-3-carboxamide
CID 71086640
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
3-[5-(3-nitrophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 4697669
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 123871845) is 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide is CC1(C)C(C(O)C(=O)Nc2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FJQCBGMKCYCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F6N6O7/c1-28(2)25(24(44)26(45)38-19-9-5-17(6-10-19)29(31,32)33)41(20-11-7-18(8-12-20)30(34,35)36)27(46)40(28)16-22(43)39-37-15-3-4-21-13-14-23(49-21)42(47)48/h3-15,24-25,44H,16H2,1-2H3,(H,38,45)(H,39,43).
What are the key properties of 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 696.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-1-[2-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-4-yl]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 123871845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).