N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide

C18H15F2NO3 — CID 99999455

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
SMILESC[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H15F2NO3/c1-18(23,16-9-11-4-2-3-5-15(11)24-16)10-21-17(22)12-6-7-13(19)14(20)8-12/h2-9,23H,10H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyRKOORGVJPPLLEA-SFHVURJKSA-N
MW331.32 g/mol
LogP3.35
Rot. Bonds4

About N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide (PubChem CID 99999455) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
PubChem CID99999455
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
SMILESC[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H15F2NO3/c1-18(23,16-9-11-4-2-3-5-15(11)24-16)10-21-17(22)12-6-7-13(19)14(20)8-12/h2-9,23H,10H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyRKOORGVJPPLLEA-SFHVURJKSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 99999920
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide (CID 99999455) is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide is C[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide?
The InChIKey is RKOORGVJPPLLEA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-18(23,16-9-11-4-2-3-5-15(11)24-16)10-21-17(22)12-6-7-13(19)14(20)8-12/h2-9,23H,10H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide has a molecular weight of 331.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide is sourced from PubChem (CID 99999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).