4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide

C15H15FN2O2 — CID 64974498

IUPAC4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNOCc2ccccc2)c1
InChIInChI=1S/C15H15FN2O2/c16-14-7-6-12(15(17)19)8-13(14)9-18-20-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyFTRFCANCPHOSPI-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.15
Rot. Bonds6

About 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide

4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide (PubChem CID 64974498) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
PubChem CID64974498
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNOCc2ccccc2)c1
InChIInChI=1S/C15H15FN2O2/c16-14-7-6-12(15(17)19)8-13(14)9-18-20-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyFTRFCANCPHOSPI-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide (CID 64974498) is 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide is NC(=O)c1ccc(F)c(CNOCc2ccccc2)c1.
What is the InChIKey of 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide?
The InChIKey is FTRFCANCPHOSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-7-6-12(15(17)19)8-13(14)9-18-20-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H2,17,19).
What are the key properties of 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide?
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide is sourced from PubChem (CID 64974498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).