2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C20H23F2N3O3 — CID 51336068

IUPAC2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H23F2N3O3/c21-14-6-7-15(16(22)11-14)20(27)24-13-19(26)23-12-17(18-5-4-10-28-18)25-8-2-1-3-9-25/h4-7,10-11,17H,1-3,8-9,12-13H2,(H,23,26)(H,24,27)
InChIKeySNYCMCRVVFPHKE-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.63
Rot. Bonds7

About 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 51336068) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID51336068
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H23F2N3O3/c21-14-6-7-15(16(22)11-14)20(27)24-13-19(26)23-12-17(18-5-4-10-28-18)25-8-2-1-3-9-25/h4-7,10-11,17H,1-3,8-9,12-13H2,(H,23,26)(H,24,27)
InChIKeySNYCMCRVVFPHKE-UHFFFAOYSA-N
XLogP2.63
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46521785
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
CID 86861584
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 51336068) is 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is SNYCMCRVVFPHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c21-14-6-7-15(16(22)11-14)20(27)24-13-19(26)23-12-17(18-5-4-10-28-18)25-8-2-1-3-9-25/h4-7,10-11,17H,1-3,8-9,12-13H2,(H,23,26)(H,24,27).
What are the key properties of 2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 2.63, 7 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-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51336068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).