4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide

C12H16F2N2O2 — CID 104765666

IUPAC4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,18-3)6-16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyDJLSEFMMCDFBQM-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.70
Rot. Bonds4

About 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide

4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide (PubChem CID 104765666) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
PubChem CID104765666
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,18-3)6-16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyDJLSEFMMCDFBQM-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.70
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

4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
CID 103464640
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
2-amino-N-(2-methoxy-2-methylpropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 104765675
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 50956881
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
5-amino-4-fluoro-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765639
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide (CID 104765666) is 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide is COC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide?
The InChIKey is DJLSEFMMCDFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(2,18-3)6-16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide?
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 104765666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).