5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide

C15H20F2N2O2 — CID 64851902

IUPAC5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide
SMILESCCOC1CC(Nc2cc(C(N)=O)c(F)cc2F)C1(C)C
InChIInChI=1S/C15H20F2N2O2/c1-4-21-13-7-12(15(13,2)3)19-11-5-8(14(18)20)9(16)6-10(11)17/h5-6,12-13,19H,4,7H2,1-3H3,(H2,18,20)
InChIKeyJPQPGOGIQKALEY-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.68
Rot. Bonds5

About 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide

5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide (PubChem CID 64851902) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide
PubChem CID64851902
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide
SMILESCCOC1CC(Nc2cc(C(N)=O)c(F)cc2F)C1(C)C
InChIInChI=1S/C15H20F2N2O2/c1-4-21-13-7-12(15(13,2)3)19-11-5-8(14(18)20)9(16)6-10(11)17/h5-6,12-13,19H,4,7H2,1-3H3,(H2,18,20)
InChIKeyJPQPGOGIQKALEY-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide (CID 64851902) is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide is CCOC1CC(Nc2cc(C(N)=O)c(F)cc2F)C1(C)C.
What is the InChIKey of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide?
The InChIKey is JPQPGOGIQKALEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-4-21-13-7-12(15(13,2)3)19-11-5-8(14(18)20)9(16)6-10(11)17/h5-6,12-13,19H,4,7H2,1-3H3,(H2,18,20).
What are the key properties of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide?
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide has a molecular weight of 298.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide is sourced from PubChem (CID 64851902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).