N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide

C7H6FN2O2- — CID 3744027

IUPACN-[(2-fluorophenyl)methyl]-N-oxidonitrous amide
SMILESO=NN([O-])Cc1ccccc1F
InChIInChI=1S/C7H6FN2O2/c8-7-4-2-1-3-6(7)5-10(12)9-11/h1-4H,5H2/q-1
InChIKeyDRFLFDZXPCPUFY-UHFFFAOYSA-N
MW169.14 g/mol
LogP1.81
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide

N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide (PubChem CID 3744027) has the molecular formula C7H6FN2O2- and a molecular weight of 169.14 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-oxidonitrous amide
PubChem CID3744027
Molecular FormulaC7H6FN2O2-
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC NameN-[(2-fluorophenyl)methyl]-N-oxidonitrous amide
SMILESO=NN([O-])Cc1ccccc1F
InChIInChI=1S/C7H6FN2O2/c8-7-4-2-1-3-6(7)5-10(12)9-11/h1-4H,5H2/q-1
InChIKeyDRFLFDZXPCPUFY-UHFFFAOYSA-N
XLogP1.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 115171049
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(2-fluorophenyl)methyl-phenylcarbamic acid
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CID 139501257
azane;1-ethyl-2-fluorobenzene
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2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 61412793
N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
1-fluoro-2-(2-isocyanatopropyl)benzene
CID 55268813

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide (CID 3744027) is N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide is O=NN([O-])Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide?
The InChIKey is DRFLFDZXPCPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN2O2/c8-7-4-2-1-3-6(7)5-10(12)9-11/h1-4H,5H2/q-1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide?
N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide has a molecular weight of 169.14 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide is sourced from PubChem (CID 3744027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).