2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide

C18H20F2N2O3 — CID 86861584

IUPAC2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H20F2N2O3/c19-12-9-13(20)17(15(23)10-12)18(24)21-11-14(16-5-4-8-25-16)22-6-2-1-3-7-22/h4-5,8-10,14,23H,1-3,6-7,11H2,(H,21,24)
InChIKeyHJUSPUFKSGBNBU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.22
Rot. Bonds5

About 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide

2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide (PubChem CID 86861584) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
PubChem CID86861584
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H20F2N2O3/c19-12-9-13(20)17(15(23)10-12)18(24)21-11-14(16-5-4-8-25-16)22-6-2-1-3-7-22/h4-5,8-10,14,23H,1-3,6-7,11H2,(H,21,24)
InChIKeyHJUSPUFKSGBNBU-UHFFFAOYSA-N
XLogP3.22
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 51336068
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide?
The IUPAC name of 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide (CID 86861584) is 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide is O=C(NCC(c1ccco1)N1CCCCC1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide?
The InChIKey is HJUSPUFKSGBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c19-12-9-13(20)17(15(23)10-12)18(24)21-11-14(16-5-4-8-25-16)22-6-2-1-3-7-22/h4-5,8-10,14,23H,1-3,6-7,11H2,(H,21,24).
What are the key properties of 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide?
2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide has a molecular weight of 350.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide is sourced from PubChem (CID 86861584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).