N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide

C18H25FN2O — CID 177491731

IUPACN-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide
SMILESC=CCCCCCCC[C@H]([18F])/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C18H25FN2O/c1-2-3-4-5-6-7-11-14-17(19)15-20-21-18(22)16-12-9-8-10-13-16/h2,8-10,12-13,15,17H,1,3-7,11,14H2,(H,21,22)/b20-15+/t17-/m0/s1/i19-1
InChIKeyCZLMTNOYGWORPO-PWPMXZKZSA-N
MW303.41 g/mol
LogP4.66
Rot. Bonds11

About N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide

N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide (PubChem CID 177491731) has the molecular formula C18H25FN2O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide.

Molecular Properties

Compound NameN-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide
PubChem CID177491731
Molecular FormulaC18H25FN2O
Molecular Weight303.41 g/mol
Exact Mass303.20
IUPAC NameN-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide
SMILESC=CCCCCCCC[C@H]([18F])/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C18H25FN2O/c1-2-3-4-5-6-7-11-14-17(19)15-20-21-18(22)16-12-9-8-10-13-16/h2,8-10,12-13,15,17H,1,3-7,11,14H2,(H,21,22)/b20-15+/t17-/m0/s1/i19-1
InChIKeyCZLMTNOYGWORPO-PWPMXZKZSA-N
XLogP4.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1(2H)-Phthalazinone
CID 8394
N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
N-(benzylideneamino)benzamide
CID 238530
Benzoic acid, 2-(1-methylethylidene)hydrazide
CID 18868
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
CID 3912518
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
2-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 6902270
N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 9557181
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
3-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9656046

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide?
The IUPAC name of N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide (CID 177491731) is N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide.
What is the SMILES notation for N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide?
The canonical SMILES for N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide is C=CCCCCCCC[C@H]([18F])/C=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide?
The InChIKey is CZLMTNOYGWORPO-PWPMXZKZSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-3-4-5-6-7-11-14-17(19)15-20-21-18(22)16-12-9-8-10-13-16/h2,8-10,12-13,15,17H,1,3-7,11,14H2,(H,21,22)/b20-15+/t17-/m0/s1/i19-1.
What are the key properties of N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide?
N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide has a molecular weight of 303.41 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2S)-2-(18F)fluoroundec-10-enylidene]amino](18F)benzamide is sourced from PubChem (CID 177491731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).