N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide

C10H13FN2O2 — CID 46929735

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide
SMILESCOC(CN(C)N=O)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-13(12-14)7-10(15-2)8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3
InChIKeyQWSZZJGKKWRNNV-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide (PubChem CID 46929735) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide
PubChem CID46929735
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide
SMILESCOC(CN(C)N=O)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-13(12-14)7-10(15-2)8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3
InChIKeyQWSZZJGKKWRNNV-UHFFFAOYSA-N
XLogP2.13
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.13
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

2-(3-fluorophenyl)-2-methoxyethanesulfonic acid
CID 115040043
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
(3-fluorophenyl)-methoxymethanamine
CID 116947347
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide (CID 46929735) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide is COC(CN(C)N=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide?
The InChIKey is QWSZZJGKKWRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-13(12-14)7-10(15-2)8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide has a molecular weight of 212.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-N-methylnitrous amide is sourced from PubChem (CID 46929735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).