4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

C17H25FN2O — CID 123849951

IUPAC4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-14-7-8-15(16(18)13-14)17(21)19-9-6-12-20-10-4-3-5-11-20/h7-8,13H,2-6,9-12H2,1H3,(H,19,21)
InChIKeyYYWCNADCFBAQDR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.99
Rot. Bonds6

About 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 123849951) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID123849951
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-14-7-8-15(16(18)13-14)17(21)19-9-6-12-20-10-4-3-5-11-20/h7-8,13H,2-6,9-12H2,1H3,(H,19,21)
InChIKeyYYWCNADCFBAQDR-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (CID 123849951) is 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide is CCc1ccc(C(=O)NCCCN2CCCCC2)c(F)c1.
What is the InChIKey of 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is YYWCNADCFBAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-14-7-8-15(16(18)13-14)17(21)19-9-6-12-20-10-4-3-5-11-20/h7-8,13H,2-6,9-12H2,1H3,(H,19,21).
What are the key properties of 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 123849951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).