2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide

C17H17ClFNO2 — CID 98622782

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC[C@H](O)Cc1ccccc1
InChIInChI=1S/C17H17ClFNO2/c18-15-7-4-8-16(19)14(15)10-17(22)20-11-13(21)9-12-5-2-1-3-6-12/h1-8,13,21H,9-11H2,(H,20,22)/t13-/m1/s1
InChIKeyFDIPTVMIVDDHIU-CYBMUJFWSA-N
MW321.78 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide (PubChem CID 98622782) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
PubChem CID98622782
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC[C@H](O)Cc1ccccc1
InChIInChI=1S/C17H17ClFNO2/c18-15-7-4-8-16(19)14(15)10-17(22)20-11-13(21)9-12-5-2-1-3-6-12/h1-8,13,21H,9-11H2,(H,20,22)/t13-/m1/s1
InChIKeyFDIPTVMIVDDHIU-CYBMUJFWSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
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-[(2R)-2-hydroxy-3-phenylpropyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide (CID 98622782) is 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide is O=C(Cc1c(F)cccc1Cl)NC[C@H](O)Cc1ccccc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide?
The InChIKey is FDIPTVMIVDDHIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c18-15-7-4-8-16(19)14(15)10-17(22)20-11-13(21)9-12-5-2-1-3-6-12/h1-8,13,21H,9-11H2,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide has a molecular weight of 321.78 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide is sourced from PubChem (CID 98622782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).