2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide

C16H14Cl2FNO2 — CID 139346252

IUPAC2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H14Cl2FNO2/c1-22-9-11-6-5-10(7-14(11)19)8-20-16(21)15-12(17)3-2-4-13(15)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyGESVFOJKJJPYNS-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.21
Rot. Bonds5

About 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide

2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 139346252) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID139346252
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H14Cl2FNO2/c1-22-9-11-6-5-10(7-14(11)19)8-20-16(21)15-12(17)3-2-4-13(15)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyGESVFOJKJJPYNS-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2798261
CID 2798261
CID 954137
CID 954137
CID 2222859
CID 2222859
CID 2726053
CID 2726053
CID 1679624
CID 1679624
CID 16188344
CID 16188344
CID 46868516
CID 46868516
CID 2798270
CID 2798270
CID 56961829
CID 56961829
CID 2417144
CID 2417144
CID 4642908
CID 4642908
CID 45900647
CID 45900647

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide (CID 139346252) is 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide is COCc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is GESVFOJKJJPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-22-9-11-6-5-10(7-14(11)19)8-20-16(21)15-12(17)3-2-4-13(15)18/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 342.20 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 139346252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).