2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C11H14F2N2O2 — CID 70098730

IUPAC2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17)5-15-10(16)9-7(13)3-6(12)4-8(9)14/h3-4,17H,5,14H2,1-2H3,(H,15,16)
InChIKeyHJYQJTCWDJWWSX-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.05
Rot. Bonds3

About 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide

2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 70098730) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID70098730
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17)5-15-10(16)9-7(13)3-6(12)4-8(9)14/h3-4,17H,5,14H2,1-2H3,(H,15,16)
InChIKeyHJYQJTCWDJWWSX-UHFFFAOYSA-N
XLogP1.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide
CID 166301389
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478500
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 70098730) is 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1c(N)cc(F)cc1F.
What is the InChIKey of 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is HJYQJTCWDJWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,17)5-15-10(16)9-7(13)3-6(12)4-8(9)14/h3-4,17H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 244.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 70098730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).