2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide

C16H14Cl2FNO — CID 107233350

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(CCl)cc1
InChIInChI=1S/C16H14Cl2FNO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyHFBCJKJGKCFXLE-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide (PubChem CID 107233350) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
PubChem CID107233350
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(CCl)cc1
InChIInChI=1S/C16H14Cl2FNO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyHFBCJKJGKCFXLE-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide (CID 107233350) is 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccc(CCl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The InChIKey is HFBCJKJGKCFXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide has a molecular weight of 326.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 107233350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).