5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide

C15H23FN2O — CID 103296755

IUPAC5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCC(C)C(C)(C)C)c1F
InChIInChI=1S/C15H23FN2O/c1-9-6-11(17)7-12(13(9)16)14(19)18-8-10(2)15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19)
InChIKeyGZTUYJLXUCWNIZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide

5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 103296755) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID103296755
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCC(C)C(C)(C)C)c1F
InChIInChI=1S/C15H23FN2O/c1-9-6-11(17)7-12(13(9)16)14(19)18-8-10(2)15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19)
InChIKeyGZTUYJLXUCWNIZ-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
2-fluoro-3-methyl-5-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 103297521
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
CID 106179973
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide (CID 103296755) is 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide is Cc1cc(N)cc(C(=O)NCC(C)C(C)(C)C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is GZTUYJLXUCWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-9-6-11(17)7-12(13(9)16)14(19)18-8-10(2)15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide?
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 266.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 103296755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).