2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C16H24FN3O — CID 63110102

IUPAC2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)cc2N)CC(C)(C)N1
InChIInChI=1S/C16H24FN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21)
InChIKeyCKPMOFQGWGKBAP-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 63110102) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID63110102
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)cc2N)CC(C)(C)N1
InChIInChI=1S/C16H24FN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21)
InChIKeyCKPMOFQGWGKBAP-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
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

2,4-difluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 37031230
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 63110102) is 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(F)cc2N)CC(C)(C)N1.
What is the InChIKey of 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is CKPMOFQGWGKBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 293.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 63110102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).