5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide

C13H18F2N2O2 — CID 114940280

IUPAC5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
SMILESCCOC(C)(C)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-4-19-13(2,3)7-17-12(18)8-5-11(16)10(15)6-9(8)14/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyQFHYZSODVIHTGJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds5

About 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide

5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide (PubChem CID 114940280) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
PubChem CID114940280
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
SMILESCCOC(C)(C)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-4-19-13(2,3)7-17-12(18)8-5-11(16)10(15)6-9(8)14/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyQFHYZSODVIHTGJ-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
5-amino-4-fluoro-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765639
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
N-(2-ethoxy-2-methylpropyl)-2,5-difluoro-3-nitrobenzamide
CID 107122397
2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide
CID 114940283

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide (CID 114940280) is 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide is CCOC(C)(C)CNC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide?
The InChIKey is QFHYZSODVIHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-4-19-13(2,3)7-17-12(18)8-5-11(16)10(15)6-9(8)14/h5-6H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide?
5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide is sourced from PubChem (CID 114940280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).