3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide

C18H21F2NO3 — CID 111478810

IUPAC3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
SMILESCc1cc(C(C)(O)CNC(=O)CCc2cccc(F)c2F)c(C)o1
InChIInChI=1S/C18H21F2NO3/c1-11-9-14(12(2)24-11)18(3,23)10-21-16(22)8-7-13-5-4-6-15(19)17(13)20/h4-6,9,23H,7-8,10H2,1-3H3,(H,21,22)
InChIKeyRSEZPDZMWDXKHJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.13
Rot. Bonds6

About 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide

3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide (PubChem CID 111478810) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
PubChem CID111478810
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
SMILESCc1cc(C(C)(O)CNC(=O)CCc2cccc(F)c2F)c(C)o1
InChIInChI=1S/C18H21F2NO3/c1-11-9-14(12(2)24-11)18(3,23)10-21-16(22)8-7-13-5-4-6-15(19)17(13)20/h4-6,9,23H,7-8,10H2,1-3H3,(H,21,22)
InChIKeyRSEZPDZMWDXKHJ-UHFFFAOYSA-N
XLogP3.13
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111479268
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111479215
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide (CID 111478810) is 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide is Cc1cc(C(C)(O)CNC(=O)CCc2cccc(F)c2F)c(C)o1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide?
The InChIKey is RSEZPDZMWDXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-11-9-14(12(2)24-11)18(3,23)10-21-16(22)8-7-13-5-4-6-15(19)17(13)20/h4-6,9,23H,7-8,10H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide?
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide has a molecular weight of 337.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 111478810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).