1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

C17H15Cl2N3OSe — CID 155557807

IUPAC1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1cc(Cl)cc(Cl)c1)CC[Se]2
InChIInChI=1S/C17H15Cl2N3OSe/c1-10-2-3-16-14(6-10)15(4-5-24-16)21-22-17(23)20-13-8-11(18)7-12(19)9-13/h2-3,6-9H,4-5H2,1H3,(H2,20,22,23)/b21-15+
InChIKeyGHZWVPMVHLCGJO-RCCKNPSSSA-N
MW427.19 g/mol
LogP3.98
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (PubChem CID 155557807) has the molecular formula C17H15Cl2N3OSe and a molecular weight of 427.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
PubChem CID155557807
Molecular FormulaC17H15Cl2N3OSe
Molecular Weight427.19 g/mol
Exact Mass426.98
IUPAC Name1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1cc(Cl)cc(Cl)c1)CC[Se]2
InChIInChI=1S/C17H15Cl2N3OSe/c1-10-2-3-16-14(6-10)15(4-5-24-16)21-22-17(23)20-13-8-11(18)7-12(19)9-13/h2-3,6-9H,4-5H2,1H3,(H2,20,22,23)/b21-15+
InChIKeyGHZWVPMVHLCGJO-RCCKNPSSSA-N
XLogP3.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.19
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(E)-(2-isopropyl-5-methyl-cyclohexylidene)amino]urea
CID 9578748
1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155520800
1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155532534
1-(3,5-dichlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155533860
1-(2-chlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155542425
1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea
CID 155558441
1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea
CID 155559874
1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155562493
1-(2-chlorophenyl)-3-[(E)-1-(4-methylphenyl)ethylideneamino]urea
CID 76309442
1-(2-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)ethylideneamino]urea
CID 76316667
1-(4-Chlorophenyl)-3-[[2-(4-fluorophenyl)-1-phenylethylidene]amino]urea
CID 53896168
1-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 8861720

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (CID 155557807) is 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is Cc1ccc2c(c1)/C(=N/NC(=O)Nc1cc(Cl)cc(Cl)c1)CC[Se]2.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The InChIKey is GHZWVPMVHLCGJO-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H15Cl2N3OSe/c1-10-2-3-16-14(6-10)15(4-5-24-16)21-22-17(23)20-13-8-11(18)7-12(19)9-13/h2-3,6-9H,4-5H2,1H3,(H2,20,22,23)/b21-15+.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea has a molecular weight of 427.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is sourced from PubChem (CID 155557807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).