N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide

C17H23FN2O — CID 9236025

IUPACN-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-13(2)7-6-8-14(3)11-12-19-20-17(21)15-9-4-5-10-16(15)18/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1
InChIKeyCSVIMWJMZTXAMH-YQNUULROSA-N
MW290.38 g/mol
LogP4.31
Rot. Bonds7

About N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide

N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide (PubChem CID 9236025) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide
PubChem CID9236025
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-13(2)7-6-8-14(3)11-12-19-20-17(21)15-9-4-5-10-16(15)18/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1
InChIKeyCSVIMWJMZTXAMH-YQNUULROSA-N
XLogP4.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-bromo-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
CID 9016492
4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
CID 9070857
N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177014
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863811
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9180117
N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465130
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
N-(3,7-dimethylocta-2,6-dienylideneamino)-2-hydroxybenzamide
CID 2827312
(6S,8E)-2,6-dimethyl-8-[tri(propan-2-yl)silylhydrazinylidene]oct-2-ene
CID 72722696
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide (CID 9236025) is N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide is CC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccccc1F.
What is the InChIKey of N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide?
The InChIKey is CSVIMWJMZTXAMH-YQNUULROSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-13(2)7-6-8-14(3)11-12-19-20-17(21)15-9-4-5-10-16(15)18/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide?
N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide has a molecular weight of 290.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide is sourced from PubChem (CID 9236025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).