[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)

C15H18FN3O2U — CID 155718607

IUPAC[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)
SMILESCC(/[C-]=N/C(=[N-])c1cccc(F)c1)NC(=O)OC(C)(C)C.[U+2]
InChIInChI=1S/C15H18FN3O2.U/c1-10(19-14(20)21-15(2,3)4)9-18-13(17)11-6-5-7-12(16)8-11;/h5-8,10H,1-4H3,(H,19,20);/q-2;+2
InChIKeyCTKBFYHEVRJAIS-UHFFFAOYSA-N
MW529.36 g/mol
LogP3.00
Rot. Bonds3

About [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)

[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+) (PubChem CID 155718607) has the molecular formula C15H18FN3O2U and a molecular weight of 529.36 g/mol. Its IUPAC name is [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+).

Molecular Properties

Compound Name[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)
PubChem CID155718607
Molecular FormulaC15H18FN3O2U
Molecular Weight529.36 g/mol
Exact Mass529.19
IUPAC Name[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)
SMILESCC(/[C-]=N/C(=[N-])c1cccc(F)c1)NC(=O)OC(C)(C)C.[U+2]
InChIInChI=1S/C15H18FN3O2.U/c1-10(19-14(20)21-15(2,3)4)9-18-13(17)11-6-5-7-12(16)8-11;/h5-8,10H,1-4H3,(H,19,20);/q-2;+2
InChIKeyCTKBFYHEVRJAIS-UHFFFAOYSA-N
XLogP3.00
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
methyl N-[1-(3-fluorophenyl)-2-methylbut-1-enyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanimidate
CID 156844056
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
tert-butyl (2S)-2-[(3-fluorobenzoyl)amino]-3-methylbutanoate
CID 80702490
tert-butyl N-[1-(3-fluorophenyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855146
(2R,3R)-3-(3-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762301
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
tert-butyl N-[1-[3-[(Z)-C-chloro-N-hydroxycarbonimidoyl]phenyl]ethyl]carbamate
CID 58070451
tert-butyl N-[1-[1-(3-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250672
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)?
The IUPAC name of [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+) (CID 155718607) is [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+).
What is the SMILES notation for [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)?
The canonical SMILES for [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+) is CC(/[C-]=N/C(=[N-])c1cccc(F)c1)NC(=O)OC(C)(C)C.[U+2].
What is the InChIKey of [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)?
The InChIKey is CTKBFYHEVRJAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2.U/c1-10(19-14(20)21-15(2,3)4)9-18-13(17)11-6-5-7-12(16)8-11;/h5-8,10H,1-4H3,(H,19,20);/q-2;+2.
What are the key properties of [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+)?
[(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+) has a molecular weight of 529.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylideneamino]methylidene]azanide;uranium(2+) is sourced from PubChem (CID 155718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).