5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide

C14H20FN3O — CID 61138909

IUPAC5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(NC(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,2,5-8,16H2,1H3,(H,17,19)
InChIKeyXQFGNIJANLCRKM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.62
Rot. Bonds3

About 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide

5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (PubChem CID 61138909) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
PubChem CID61138909
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
SMILESCCN1CCC(NC(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,2,5-8,16H2,1H3,(H,17,19)
InChIKeyXQFGNIJANLCRKM-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.62
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-N-(4-methylcyclohexyl)benzamide
CID 43510704
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide (CID 61138909) is 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is CCN1CCC(NC(=O)c2cc(N)ccc2F)CC1.
What is the InChIKey of 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
The InChIKey is XQFGNIJANLCRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,2,5-8,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide?
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 61138909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).