N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide

C11H12FN5O3 — CID 139624544

IUPACN-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCCN1C=NOCc1ccccc1F
InChIInChI=1S/C11H12FN5O3/c12-10-4-2-1-3-9(10)7-20-14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-7H2,(H,13,15)
InChIKeyCAMIZVUZABXEMI-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.74
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide

N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 139624544) has the molecular formula C11H12FN5O3 and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide
PubChem CID139624544
Molecular FormulaC11H12FN5O3
Molecular Weight281.25 g/mol
Exact Mass281.09
IUPAC NameN-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCCN1C=NOCc1ccccc1F
InChIInChI=1S/C11H12FN5O3/c12-10-4-2-1-3-9(10)7-20-14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-7H2,(H,13,15)
InChIKeyCAMIZVUZABXEMI-UHFFFAOYSA-N
XLogP0.74
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[(E)-4,4,4-trifluoro-3-hydroxybut-2-enyl]imidazolidin-2-ylidene]nitramide
CID 135871408
(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide
CID 135804940
1-[(2-fluorophenyl)methyl]piperazine-2,3-dione
CID 56731477
N-[1-(4-nitrophenyl)imidazolidin-2-ylidene]nitramide
CID 152747111
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
CID 66554637
N-(1-but-3-ynylimidazolidin-2-ylidene)nitramide
CID 139622045
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl] N-[(2-fluorophenyl)methoxy]methanimidate
CID 174658726
3-[(2-fluorophenyl)methoxy]-5-nitroaniline
CID 80876570
2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone
CID 63937568
(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
CID 135804938
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide (CID 139624544) is N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide is O=[N+]([O-])N=C1NCCN1C=NOCc1ccccc1F.
What is the InChIKey of N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is CAMIZVUZABXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3/c12-10-4-2-1-3-9(10)7-20-14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-7H2,(H,13,15).
What are the key properties of N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide?
N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 281.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methoxyiminomethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139624544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).