[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea

C16H14FN3O2 — CID 23660880

IUPAC[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea
SMILESNC(=O)N/N=C1\CC(c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H14FN3O2/c17-11-6-7-14-12(8-11)13(19-20-16(18)21)9-15(22-14)10-4-2-1-3-5-10/h1-8,15H,9H2,(H3,18,20,21)/b19-13+
InChIKeyFXNGGSMIPIVSHH-CPNJWEJPSA-N
MW299.31 g/mol
LogP2.72
Rot. Bonds2

About [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea

[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea (PubChem CID 23660880) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea
PubChem CID23660880
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea
SMILESNC(=O)N/N=C1\CC(c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H14FN3O2/c17-11-6-7-14-12(8-11)13(19-20-16(18)21)9-15(22-14)10-4-2-1-3-5-10/h1-8,15H,9H2,(H3,18,20,21)/b19-13+
InChIKeyFXNGGSMIPIVSHH-CPNJWEJPSA-N
XLogP2.72
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea?
The IUPAC name of [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea (CID 23660880) is [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea.
What is the SMILES notation for [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea?
The canonical SMILES for [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea is NC(=O)N/N=C1\CC(c2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea?
The InChIKey is FXNGGSMIPIVSHH-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-6-7-14-12(8-11)13(19-20-16(18)21)9-15(22-14)10-4-2-1-3-5-10/h1-8,15H,9H2,(H3,18,20,21)/b19-13+.
What are the key properties of [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea?
[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea has a molecular weight of 299.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea is sourced from PubChem (CID 23660880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).