2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide

C18H19FN2O3 — CID 175257872

IUPAC2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide
SMILESCCC(F)COc1ccc(-c2c(C(N)=O)cccc2C(N)=O)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-12(19)10-24-13-8-6-11(7-9-13)16-14(17(20)22)4-3-5-15(16)18(21)23/h3-9,12H,2,10H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyWQSUGLQSEBOSKN-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide

2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide (PubChem CID 175257872) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide
PubChem CID175257872
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide
SMILESCCC(F)COc1ccc(-c2c(C(N)=O)cccc2C(N)=O)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-12(19)10-24-13-8-6-11(7-9-13)16-14(17(20)22)4-3-5-15(16)18(21)23/h3-9,12H,2,10H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyWQSUGLQSEBOSKN-UHFFFAOYSA-N
XLogP2.68
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide (CID 175257872) is 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide is CCC(F)COc1ccc(-c2c(C(N)=O)cccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is WQSUGLQSEBOSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-12(19)10-24-13-8-6-11(7-9-13)16-14(17(20)22)4-3-5-15(16)18(21)23/h3-9,12H,2,10H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide?
2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobutoxy)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 175257872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).