N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

C22H19ClFNO2 — CID 24683818

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C22H19ClFNO2/c1-25(14-19-20(23)8-5-9-21(19)24)22(26)17-12-10-16(11-13-17)15-27-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3
InChIKeyXEDVEVLTIOJRGU-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.33
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (PubChem CID 24683818) has the molecular formula C22H19ClFNO2 and a molecular weight of 383.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
PubChem CID24683818
Molecular FormulaC22H19ClFNO2
Molecular Weight383.85 g/mol
Exact Mass383.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C22H19ClFNO2/c1-25(14-19-20(23)8-5-9-21(19)24)22(26)17-12-10-16(11-13-17)15-27-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3
InChIKeyXEDVEVLTIOJRGU-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (CID 24683818) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The InChIKey is XEDVEVLTIOJRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO2/c1-25(14-19-20(23)8-5-9-21(19)24)22(26)17-12-10-16(11-13-17)15-27-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide has a molecular weight of 383.85 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 24683818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).