N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide

C21H18FNO2 — CID 4844974

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-23(15-17-7-5-6-10-20(17)22)21(24)16-11-13-19(14-12-16)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyXPJDLESLINUTQE-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.89
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide

N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide (PubChem CID 4844974) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide
PubChem CID4844974
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-23(15-17-7-5-6-10-20(17)22)21(24)16-11-13-19(14-12-16)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyXPJDLESLINUTQE-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide (CID 4844974) is N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide is CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide?
The InChIKey is XPJDLESLINUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-23(15-17-7-5-6-10-20(17)22)21(24)16-11-13-19(14-12-16)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide?
N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide has a molecular weight of 335.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-4-phenoxybenzamide is sourced from PubChem (CID 4844974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).