N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide

C16H15ClFNO3 — CID 110663511

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO3/c17-12-7-5-11(6-8-12)14(20)9-19-16(21)10-22-15-4-2-1-3-13(15)18/h1-8,14,20H,9-10H2,(H,19,21)
InChIKeyDTILGBGXLOQCSA-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 110663511) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID110663511
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO3/c17-12-7-5-11(6-8-12)14(20)9-19-16(21)10-22-15-4-2-1-3-13(15)18/h1-8,14,20H,9-10H2,(H,19,21)
InChIKeyDTILGBGXLOQCSA-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414037
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide (CID 110663511) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is DTILGBGXLOQCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c17-12-7-5-11(6-8-12)14(20)9-19-16(21)10-22-15-4-2-1-3-13(15)18/h1-8,14,20H,9-10H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 323.75 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 110663511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).