2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

C13H18F2N2O2 — CID 106180006

IUPAC2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C13H18F2N2O2/c1-12(2,13(3,4)19)17-11(18)7-5-8(14)9(15)6-10(7)16/h5-6,19H,16H2,1-4H3,(H,17,18)
InChIKeyREXPSUJFBVTNFZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (PubChem CID 106180006) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
PubChem CID106180006
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C13H18F2N2O2/c1-12(2,13(3,4)19)17-11(18)7-5-8(14)9(15)6-10(7)16/h5-6,19H,16H2,1-4H3,(H,17,18)
InChIKeyREXPSUJFBVTNFZ-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
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

2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
CID 106179973
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
2,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180625
2-amino-4,5-difluoro-N-(2-methylbut-3-yn-2-yl)benzamide;4,5-difluoro-N-(2-methylbut-3-yn-2-yl)-2-(propan-2-ylamino)benzamide
CID 158733354
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 62810133
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 94334111
2-amino-4,5-difluorobenzamide
CID 16640510

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (CID 106180006) is 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The InChIKey is REXPSUJFBVTNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-12(2,13(3,4)19)17-11(18)7-5-8(14)9(15)6-10(7)16/h5-6,19H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 106180006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).