5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C15H22FN3O — CID 103296322

IUPAC5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCC2CCN(C)CC2)c1F
InChIInChI=1S/C15H22FN3O/c1-10-7-12(17)8-13(14(10)16)15(20)18-9-11-3-5-19(2)6-4-11/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyDQUMUUCXBKRKHE-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.79
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 103296322) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID103296322
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCC2CCN(C)CC2)c1F
InChIInChI=1S/C15H22FN3O/c1-10-7-12(17)8-13(14(10)16)15(20)18-9-11-3-5-19(2)6-4-11/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyDQUMUUCXBKRKHE-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 103296322) is 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is Cc1cc(N)cc(C(=O)NCC2CCN(C)CC2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is DQUMUUCXBKRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-7-12(17)8-13(14(10)16)15(20)18-9-11-3-5-19(2)6-4-11/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 103296322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).