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

C17H16ClN3OSe — CID 155562493

IUPAC1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1Cl)CC[Se]2
InChIInChI=1S/C17H16ClN3OSe/c1-11-6-7-16-12(10-11)14(8-9-23-16)20-21-17(22)19-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,21,22)/b20-14+
InChIKeyYNFAJJMLLUCBIQ-XSFVSMFZSA-N
MW392.75 g/mol
LogP3.33
Rot. Bonds2

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

1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (PubChem CID 155562493) has the molecular formula C17H16ClN3OSe and a molecular weight of 392.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
PubChem CID155562493
Molecular FormulaC17H16ClN3OSe
Molecular Weight392.75 g/mol
Exact Mass393.01
IUPAC Name1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1Cl)CC[Se]2
InChIInChI=1S/C17H16ClN3OSe/c1-11-6-7-16-12(10-11)14(8-9-23-16)20-21-17(22)19-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,21,22)/b20-14+
InChIKeyYNFAJJMLLUCBIQ-XSFVSMFZSA-N
XLogP3.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.75
LogP ≤ 53.33
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-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
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-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155548048
1-(3,5-dichlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155557807
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)-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (CID 155562493) is 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is Cc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1Cl)CC[Se]2.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The InChIKey is YNFAJJMLLUCBIQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H16ClN3OSe/c1-11-6-7-16-12(10-11)14(8-9-23-16)20-21-17(22)19-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,21,22)/b20-14+.
What are the key properties of 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea has a molecular weight of 392.75 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is sourced from PubChem (CID 155562493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).