3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride

C17H15Cl3N4O4 — CID 24839038

IUPAC3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C(=O)N1C(=O)CN(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O.Cl
InChIInChI=1S/C17H14Cl2N4O4.ClH/c1-9(20)16(25)23-15(24)8-22(17(23)26)21-7-11-3-5-14(27-11)10-2-4-12(18)13(19)6-10;/h2-7,9H,8,20H2,1H3;1H/b21-7-;
InChIKeyZQVOMLCJGKXMNE-FLIYKKTKSA-N
MW445.69 g/mol
LogP3.15
Rot. Bonds4

About 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride

3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride (PubChem CID 24839038) has the molecular formula C17H15Cl3N4O4 and a molecular weight of 445.69 g/mol. Its IUPAC name is 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
PubChem CID24839038
Molecular FormulaC17H15Cl3N4O4
Molecular Weight445.69 g/mol
Exact Mass444.02
IUPAC Name3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C(=O)N1C(=O)CN(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O.Cl
InChIInChI=1S/C17H14Cl2N4O4.ClH/c1-9(20)16(25)23-15(24)8-22(17(23)26)21-7-11-3-5-14(27-11)10-2-4-12(18)13(19)6-10;/h2-7,9H,8,20H2,1H3;1H/b21-7-;
InChIKeyZQVOMLCJGKXMNE-FLIYKKTKSA-N
XLogP3.15
TPSA109.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride 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

tert-butyl N-[1-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70633334
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;hydrochloride
CID 66831807
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
CID 19375579
(1R,2S,6S,7R,8S,10S)-4-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98104926
bis((Z)-but-2-enedioic acid);1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 86749076
[3-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 2-aminoacetate
CID 138574610
3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 142563430
(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
CID 70655963

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride (CID 24839038) is 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride is CC(N)C(=O)N1C(=O)CN(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O.Cl.
What is the InChIKey of 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is ZQVOMLCJGKXMNE-FLIYKKTKSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4.ClH/c1-9(20)16(25)23-15(24)8-22(17(23)26)21-7-11-3-5-14(27-11)10-2-4-12(18)13(19)6-10;/h2-7,9H,8,20H2,1H3;1H/b21-7-;.
What are the key properties of 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride?
3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 445.69 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 24839038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).