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

C14H21FN2O2 — CID 106179973

IUPAC5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-8-6-9(16)7-10(11(8)15)12(18)17-13(2,3)14(4,5)19/h6-7,19H,16H2,1-5H3,(H,17,18)
InChIKeySTMXUOKNMDTPEV-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.00
Rot. Bonds3

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

5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide (PubChem CID 106179973) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
PubChem CID106179973
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-8-6-9(16)7-10(11(8)15)12(18)17-13(2,3)14(4,5)19/h6-7,19H,16H2,1-5H3,(H,17,18)
InChIKeySTMXUOKNMDTPEV-UHFFFAOYSA-N
XLogP2.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.00
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

5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106180006
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 106179954
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
2,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180625
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide (CID 106179973) is 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide is Cc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide?
The InChIKey is STMXUOKNMDTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-8-6-9(16)7-10(11(8)15)12(18)17-13(2,3)14(4,5)19/h6-7,19H,16H2,1-5H3,(H,17,18).
What are the key properties of 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide?
5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 106179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).