N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide

C18H19F2NO3 — CID 125137145

IUPACN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide
SMILESCC[C@H](NC(=O)Cc1cccc(O)c1)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C18H19F2NO3/c1-2-15(18(24)17-13(19)7-4-8-14(17)20)21-16(23)10-11-5-3-6-12(22)9-11/h3-9,15,18,22,24H,2,10H2,1H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyOTABPVRBNSEJFG-YJBOKZPZSA-N
MW335.35 g/mol
LogP2.84
Rot. Bonds6

About N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide

N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 125137145) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID125137145
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide
SMILESCC[C@H](NC(=O)Cc1cccc(O)c1)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C18H19F2NO3/c1-2-15(18(24)17-13(19)7-4-8-14(17)20)21-16(23)10-11-5-3-6-12(22)9-11/h3-9,15,18,22,24H,2,10H2,1H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyOTABPVRBNSEJFG-YJBOKZPZSA-N
XLogP2.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
N-(1-ethoxy-3-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 103280835
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
N-(2,6-difluoro-3-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 82819723
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399930
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide (CID 125137145) is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide is CC[C@H](NC(=O)Cc1cccc(O)c1)[C@H](O)c1c(F)cccc1F.
What is the InChIKey of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is OTABPVRBNSEJFG-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-2-15(18(24)17-13(19)7-4-8-14(17)20)21-16(23)10-11-5-3-6-12(22)9-11/h3-9,15,18,22,24H,2,10H2,1H3,(H,21,23)/t15-,18-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide?
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 335.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 125137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).