3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide

C14H13F2NO3 — CID 97106229

IUPAC3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO3/c15-11-2-1-9(7-12(11)16)14(19)17-5-3-13(18)10-4-6-20-8-10/h1-2,4,6-8,13,18H,3,5H2,(H,17,19)/t13-/m0/s1
InChIKeySUQHNJJIKWIFJX-ZDUSSCGKSA-N
MW281.26 g/mol
LogP2.41
Rot. Bonds5

About 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide

3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide (PubChem CID 97106229) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
PubChem CID97106229
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO3/c15-11-2-1-9(7-12(11)16)14(19)17-5-3-13(18)10-4-6-20-8-10/h1-2,4,6-8,13,18H,3,5H2,(H,17,19)/t13-/m0/s1
InChIKeySUQHNJJIKWIFJX-ZDUSSCGKSA-N
XLogP2.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-difluorobenzamide
CID 97042754
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
CID 71804442
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide (CID 97106229) is 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide is O=C(NCC[C@H](O)c1ccoc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The InChIKey is SUQHNJJIKWIFJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13F2NO3/c15-11-2-1-9(7-12(11)16)14(19)17-5-3-13(18)10-4-6-20-8-10/h1-2,4,6-8,13,18H,3,5H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide has a molecular weight of 281.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 97106229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).