3-chloro-4-[fluoro(methoxy)methyl]benzamide

C9H9ClFNO2 — CID 123798164

IUPAC3-chloro-4-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,8H,1H3,(H2,12,13)
InChIKeyJVOMJZWECQMZMK-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-4-[fluoro(methoxy)methyl]benzamide

3-chloro-4-[fluoro(methoxy)methyl]benzamide (PubChem CID 123798164) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 3-chloro-4-[fluoro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[fluoro(methoxy)methyl]benzamide
PubChem CID123798164
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name3-chloro-4-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,8H,1H3,(H2,12,13)
InChIKeyJVOMJZWECQMZMK-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[fluoro(methoxy)methyl]benzamide?
The IUPAC name of 3-chloro-4-[fluoro(methoxy)methyl]benzamide (CID 123798164) is 3-chloro-4-[fluoro(methoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[fluoro(methoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[fluoro(methoxy)methyl]benzamide is COC(F)c1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[fluoro(methoxy)methyl]benzamide?
The InChIKey is JVOMJZWECQMZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,8H,1H3,(H2,12,13).
What are the key properties of 3-chloro-4-[fluoro(methoxy)methyl]benzamide?
3-chloro-4-[fluoro(methoxy)methyl]benzamide has a molecular weight of 217.63 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[fluoro(methoxy)methyl]benzamide is sourced from PubChem (CID 123798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).