2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide

C17H17ClFNO3 — CID 39951192

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1c(F)cccc1Cl)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H17ClFNO3/c1-10(17(23)11-5-7-12(21)8-6-11)20-16(22)9-13-14(18)3-2-4-15(13)19/h2-8,10,17,21,23H,9H2,1H3,(H,20,22)/t10-,17+/m1/s1
InChIKeyNJZSUNVYQPLSNF-QGHHPUGFSA-N
MW337.78 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide (PubChem CID 39951192) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
PubChem CID39951192
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1c(F)cccc1Cl)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H17ClFNO3/c1-10(17(23)11-5-7-12(21)8-6-11)20-16(22)9-13-14(18)3-2-4-15(13)19/h2-8,10,17,21,23H,9H2,1H3,(H,20,22)/t10-,17+/m1/s1
InChIKeyNJZSUNVYQPLSNF-QGHHPUGFSA-N
XLogP2.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide (CID 39951192) is 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide is C[C@@H](NC(=O)Cc1c(F)cccc1Cl)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The InChIKey is NJZSUNVYQPLSNF-QGHHPUGFSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-10(17(23)11-5-7-12(21)8-6-11)20-16(22)9-13-14(18)3-2-4-15(13)19/h2-8,10,17,21,23H,9H2,1H3,(H,20,22)/t10-,17+/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide has a molecular weight of 337.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 39951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).