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

C18H18FN3OSe — CID 155548048

IUPAC1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(F)cc21
InChIInChI=1S/C18H18FN3OSe/c1-2-12-5-3-4-6-15(12)20-18(23)22-21-16-9-10-24-17-8-7-13(19)11-14(16)17/h3-8,11H,2,9-10H2,1H3,(H2,20,22,23)/b21-16+
InChIKeyFWQGXUCCAGWGLG-LTGZKZEYSA-N
MW390.32 g/mol
LogP3.07
Rot. Bonds3

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

1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea (PubChem CID 155548048) has the molecular formula C18H18FN3OSe and a molecular weight of 390.32 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
PubChem CID155548048
Molecular FormulaC18H18FN3OSe
Molecular Weight390.32 g/mol
Exact Mass391.06
IUPAC Name1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(F)cc21
InChIInChI=1S/C18H18FN3OSe/c1-2-12-5-3-4-6-15(12)20-18(23)22-21-16-9-10-24-17-8-7-13(19)11-14(16)17/h3-8,11H,2,9-10H2,1H3,(H2,20,22,23)/b21-16+
InChIKeyFWQGXUCCAGWGLG-LTGZKZEYSA-N
XLogP3.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.07
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-Phenylethanone N-phenylsemicarbazone
CID 9584792
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134153846
(2E)-N-(2,6-dimethylphenyl)-2-(2-fluorobenzylidene)hydrazinecarboxamide
CID 6882230
1-phenyl-1-propanone N-phenylsemicarbazone
CID 6944388
1-(2,6-dimethylphenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea
CID 77108049
1-(4-Methylphenyl)ethanone N-phenylsemicarbazone
CID 5757040
1-(2,6-dimethylphenyl)-3-[(E)-1-phenylethylideneamino]urea
CID 11543725
1-(Benzhydrylideneamino)-3-(2,6-dimethylphenyl)urea
CID 11631534
1-[(E)-1-(3-aminophenyl)ethylideneamino]-3-(2,6-dimethylphenyl)urea
CID 11645060

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea (CID 155548048) is 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea is CCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(F)cc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The InChIKey is FWQGXUCCAGWGLG-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H18FN3OSe/c1-2-12-5-3-4-6-15(12)20-18(23)22-21-16-9-10-24-17-8-7-13(19)11-14(16)17/h3-8,11H,2,9-10H2,1H3,(H2,20,22,23)/b21-16+.
What are the key properties of 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea?
1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea has a molecular weight of 390.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea is sourced from PubChem (CID 155548048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).