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

C16H24FN3O — CID 103296905

IUPAC5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCCC2CCN(C)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-11-9-13(18)10-14(15(11)17)16(21)19-6-3-12-4-7-20(2)8-5-12/h9-10,12H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyOIKQAQHMKIZVKU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.18
Rot. Bonds4

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

5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 103296905) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID103296905
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCCC2CCN(C)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-11-9-13(18)10-14(15(11)17)16(21)19-6-3-12-4-7-20(2)8-5-12/h9-10,12H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyOIKQAQHMKIZVKU-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.18
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-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 103296905) is 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is Cc1cc(N)cc(C(=O)NCCC2CCN(C)CC2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is OIKQAQHMKIZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-9-13(18)10-14(15(11)17)16(21)19-6-3-12-4-7-20(2)8-5-12/h9-10,12H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 293.39 g/mol, XLogP of 2.18, 4 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-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 103296905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).