2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide

C16H15ClFNO2 — CID 7751282

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-13-7-8-15(18)14(17)9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySUJCTQYMAOSLMG-LLVKDONJSA-N
MW307.75 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7751282) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7751282
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-13-7-8-15(18)14(17)9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySUJCTQYMAOSLMG-LLVKDONJSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134002717
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
methyl (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9229576
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide (CID 7751282) is 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is SUJCTQYMAOSLMG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-13-7-8-15(18)14(17)9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7751282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).