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

C15H22FN3O — CID 114514864

IUPAC2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H22FN3O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyGNQHHWWYQKSODP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.87
Rot. Bonds4

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

2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 114514864) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID114514864
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H22FN3O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyGNQHHWWYQKSODP-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.87
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

4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 114514864) is 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CN1CCC(CCNC(=O)c2cc(F)ccc2N)CC1.
What is the InChIKey of 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is GNQHHWWYQKSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 114514864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).