5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide

C19H20FNO2 — CID 131980752

IUPAC5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide
SMILESCc1ccc(OCc2cc(F)c(C(N)=O)cc2C2CC2)cc1C
InChIInChI=1S/C19H20FNO2/c1-11-3-6-15(7-12(11)2)23-10-14-8-18(20)17(19(21)22)9-16(14)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,22)
InChIKeyJHGUYPXQGHXSMG-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.00
Rot. Bonds5

About 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide

5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide (PubChem CID 131980752) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide
PubChem CID131980752
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide
SMILESCc1ccc(OCc2cc(F)c(C(N)=O)cc2C2CC2)cc1C
InChIInChI=1S/C19H20FNO2/c1-11-3-6-15(7-12(11)2)23-10-14-8-18(20)17(19(21)22)9-16(14)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,22)
InChIKeyJHGUYPXQGHXSMG-UHFFFAOYSA-N
XLogP4.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide (CID 131980752) is 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide is Cc1ccc(OCc2cc(F)c(C(N)=O)cc2C2CC2)cc1C.
What is the InChIKey of 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide?
The InChIKey is JHGUYPXQGHXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-11-3-6-15(7-12(11)2)23-10-14-8-18(20)17(19(21)22)9-16(14)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,22).
What are the key properties of 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide?
5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide has a molecular weight of 313.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzamide is sourced from PubChem (CID 131980752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).