3-fluoro-2,4-dimethylbenzamide

C9H10FNO — CID 119006165

IUPAC3-fluoro-2,4-dimethylbenzamide
SMILESCc1ccc(C(N)=O)c(C)c1F
InChIInChI=1S/C9H10FNO/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKeyMNIBLQOQCSBABZ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.54
Rot. Bonds1

About 3-fluoro-2,4-dimethylbenzamide

3-fluoro-2,4-dimethylbenzamide (PubChem CID 119006165) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-2,4-dimethylbenzamide
PubChem CID119006165
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-fluoro-2,4-dimethylbenzamide
SMILESCc1ccc(C(N)=O)c(C)c1F
InChIInChI=1S/C9H10FNO/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKeyMNIBLQOQCSBABZ-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethylbenzamide?
The IUPAC name of 3-fluoro-2,4-dimethylbenzamide (CID 119006165) is 3-fluoro-2,4-dimethylbenzamide.
What is the SMILES notation for 3-fluoro-2,4-dimethylbenzamide?
The canonical SMILES for 3-fluoro-2,4-dimethylbenzamide is Cc1ccc(C(N)=O)c(C)c1F.
What is the InChIKey of 3-fluoro-2,4-dimethylbenzamide?
The InChIKey is MNIBLQOQCSBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 3-fluoro-2,4-dimethylbenzamide?
3-fluoro-2,4-dimethylbenzamide has a molecular weight of 167.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethylbenzamide is sourced from PubChem (CID 119006165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).