2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide

C16H14Cl2FNO2 — CID 155754251

IUPAC2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2ccccc2Cl)c(Cl)c1F
InChIInChI=1S/C16H14Cl2FNO2/c1-22-9-11-7-6-10(14(18)15(11)19)8-20-16(21)12-4-2-3-5-13(12)17/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyHIBYYQKMKIPMHV-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide

2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 155754251) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID155754251
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2ccccc2Cl)c(Cl)c1F
InChIInChI=1S/C16H14Cl2FNO2/c1-22-9-11-7-6-10(14(18)15(11)19)8-20-16(21)12-4-2-3-5-13(12)17/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyHIBYYQKMKIPMHV-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide (CID 155754251) is 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide is COCc1ccc(CNC(=O)c2ccccc2Cl)c(Cl)c1F.
What is the InChIKey of 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is HIBYYQKMKIPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-22-9-11-7-6-10(14(18)15(11)19)8-20-16(21)12-4-2-3-5-13(12)17/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
2-chloro-N-[[2-chloro-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-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 155754251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).