N-(4-fluorophenyl)-N-methylnitrous amide

C7H7FN2O — CID 13641

IUPACN-(4-fluorophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(F)cc1
InChIInChI=1S/C7H7FN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyGFIXPWIVPHYTAJ-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.94
Rot. Bonds2

About N-(4-fluorophenyl)-N-methylnitrous amide

N-(4-fluorophenyl)-N-methylnitrous amide (PubChem CID 13641) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methylnitrous amide
PubChem CID13641
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC NameN-(4-fluorophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(F)cc1
InChIInChI=1S/C7H7FN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyGFIXPWIVPHYTAJ-UHFFFAOYSA-N
XLogP1.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methylnitrous amide?
The IUPAC name of N-(4-fluorophenyl)-N-methylnitrous amide (CID 13641) is N-(4-fluorophenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methylnitrous amide?
The canonical SMILES for N-(4-fluorophenyl)-N-methylnitrous amide is CN(N=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methylnitrous amide?
The InChIKey is GFIXPWIVPHYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methylnitrous amide?
N-(4-fluorophenyl)-N-methylnitrous amide has a molecular weight of 154.14 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methylnitrous amide is sourced from PubChem (CID 13641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).