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

C16H15ClFNO2 — CID 146083123

IUPAC2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
SMILESO=C(CCl)NC(COc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c17-10-16(20)19-14(12-6-2-1-3-7-12)11-21-15-9-5-4-8-13(15)18/h1-9,14H,10-11H2,(H,19,20)
InChIKeyILXQGCFGRKTOPO-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.30
Rot. Bonds6

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

2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide (PubChem CID 146083123) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
PubChem CID146083123
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
SMILESO=C(CCl)NC(COc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c17-10-16(20)19-14(12-6-2-1-3-7-12)11-21-15-9-5-4-8-13(15)18/h1-9,14H,10-11H2,(H,19,20)
InChIKeyILXQGCFGRKTOPO-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(2-hydroxyphenyl)propanamide
CID 112835967
2-(4-cyanophenoxy)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 55737345
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55737377
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,4-dithiane-2-carboxamide
CID 87004751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide (CID 146083123) is 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide is O=C(CCl)NC(COc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide?
The InChIKey is ILXQGCFGRKTOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-10-16(20)19-14(12-6-2-1-3-7-12)11-21-15-9-5-4-8-13(15)18/h1-9,14H,10-11H2,(H,19,20).
What are the key properties of 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide?
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide is sourced from PubChem (CID 146083123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).