3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide

C18H18F2N2O3 — CID 112999010

IUPAC3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3/c1-11(2)25-16-6-4-3-5-15(16)22-17(23)10-21-18(24)12-7-8-13(19)14(20)9-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCNZOCHJWDGLZKH-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.12
Rot. Bonds6

About 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide

3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide (PubChem CID 112999010) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
PubChem CID112999010
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3/c1-11(2)25-16-6-4-3-5-15(16)22-17(23)10-21-18(24)12-7-8-13(19)14(20)9-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCNZOCHJWDGLZKH-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108955874
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide (CID 112999010) is 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide is CC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The InChIKey is CNZOCHJWDGLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(2)25-16-6-4-3-5-15(16)22-17(23)10-21-18(24)12-7-8-13(19)14(20)9-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide is sourced from PubChem (CID 112999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).