[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone

C16H14FNO2 — CID 164678662

IUPAC[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
SMILESCO/N=C(\C)c1c(F)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14FNO2/c1-11(18-20-2)15-13(9-6-10-14(15)17)16(19)12-7-4-3-5-8-12/h3-10H,1-2H3/b18-11+
InChIKeySMEPGRBVGWAYOT-WOJGMQOQSA-N
MW271.29 g/mol
LogP3.43
Rot. Bonds4

About [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone

[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone (PubChem CID 164678662) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
PubChem CID164678662
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
SMILESCO/N=C(\C)c1c(F)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14FNO2/c1-11(18-20-2)15-13(9-6-10-14(15)17)16(19)12-7-4-3-5-8-12/h3-10H,1-2H3/b18-11+
InChIKeySMEPGRBVGWAYOT-WOJGMQOQSA-N
XLogP3.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The IUPAC name of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone (CID 164678662) is [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone is CO/N=C(\C)c1c(F)cccc1C(=O)c1ccccc1.
What is the InChIKey of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The InChIKey is SMEPGRBVGWAYOT-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11(18-20-2)15-13(9-6-10-14(15)17)16(19)12-7-4-3-5-8-12/h3-10H,1-2H3/b18-11+.
What are the key properties of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone has a molecular weight of 271.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone is sourced from PubChem (CID 164678662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).