N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

C17H17FN2O3 — CID 54091789

IUPACN-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCON=CC(=O)N(C)c1ccccc1COc1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-20(17(21)11-19-22-2)16-9-4-3-6-13(16)12-23-15-8-5-7-14(18)10-15/h3-11H,12H2,1-2H3
InChIKeyMUJBSVXMSZVGGB-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54091789) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54091789
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCON=CC(=O)N(C)c1ccccc1COc1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-20(17(21)11-19-22-2)16-9-4-3-6-13(16)12-23-15-8-5-7-14(18)10-15/h3-11H,12H2,1-2H3
InChIKeyMUJBSVXMSZVGGB-UHFFFAOYSA-N
XLogP3.00
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluorobenzaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872753
4-fluorobenzaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872759
4-fluorobenzaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872760
N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide
CID 2527795
1,2-Dihydro-N-methyl-4-(4-phenoxybutoxy)quinolin-2-one
CID 42631142
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
TC-MCH 7c
CID 11654412
4-fluorobenzaldehyde O-4-butoxyphenylcarbamoyl oxime
CID 20872751
4-fluorobenzaldehyde O-4-(heptyloxy)phenylcarbamoyl oxime
CID 20872756
4-fluorobenzaldehyde O-4-(hexyloxy)phenylcarbamoyl oxime
CID 20872757
4-fluorobenzaldehyde O-4-(pentyloxy)phenylcarbamoyl oxime
CID 20872761

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 54091789) is N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is CON=CC(=O)N(C)c1ccccc1COc1cccc(F)c1.
What is the InChIKey of N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is MUJBSVXMSZVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-20(17(21)11-19-22-2)16-9-4-3-6-13(16)12-23-15-8-5-7-14(18)10-15/h3-11H,12H2,1-2H3.
What are the key properties of N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 316.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54091789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).