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

C13H19FN2O2 — CID 106179911

IUPAC2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-12(2,13(3,4)18)16-11(17)9-7-8(14)5-6-10(9)15/h5-7,18H,15H2,1-4H3,(H,16,17)
InChIKeySDVUNYMANWSYQR-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.69
Rot. Bonds3

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

2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (PubChem CID 106179911) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
PubChem CID106179911
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-12(2,13(3,4)18)16-11(17)9-7-8(14)5-6-10(9)15/h5-7,18H,15H2,1-4H3,(H,16,17)
InChIKeySDVUNYMANWSYQR-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.69
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-N-tert-butyl-5-fluorobenzamide
CID 43132548
2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106180006
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61160435
2,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180625
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927182
5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
CID 106179973
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-amino-N-cyano-5-fluorobenzamide
CID 79195015
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (CID 106179911) is 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The InChIKey is SDVUNYMANWSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-12(2,13(3,4)18)16-11(17)9-7-8(14)5-6-10(9)15/h5-7,18H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 106179911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).