4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide

C15H19FN2O3 — CID 166286961

IUPAC4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2(O)CCCC2)c1
InChIInChI=1S/C15H19FN2O3/c16-12-4-3-10(13(17)19)9-11(12)14(20)18-8-7-15(21)5-1-2-6-15/h3-4,9,21H,1-2,5-8H2,(H2,17,19)(H,18,20)
InChIKeyHORSERGRHZULMZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.35
Rot. Bonds5

About 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide

4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 166286961) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID166286961
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2(O)CCCC2)c1
InChIInChI=1S/C15H19FN2O3/c16-12-4-3-10(13(17)19)9-11(12)14(20)18-8-7-15(21)5-1-2-6-15/h3-4,9,21H,1-2,5-8H2,(H2,17,19)(H,18,20)
InChIKeyHORSERGRHZULMZ-UHFFFAOYSA-N
XLogP1.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide (CID 166286961) is 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide is NC(=O)c1ccc(F)c(C(=O)NCCC2(O)CCCC2)c1.
What is the InChIKey of 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is HORSERGRHZULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-3-10(13(17)19)9-11(12)14(20)18-8-7-15(21)5-1-2-6-15/h3-4,9,21H,1-2,5-8H2,(H2,17,19)(H,18,20).
What are the key properties of 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide?
4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166286961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).