N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide

C16H14ClF2NO2 — CID 110004284

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO2/c17-12-3-1-10(2-4-12)15(9-21)20-16(22)8-11-7-13(18)5-6-14(11)19/h1-7,15,21H,8-9H2,(H,20,22)
InChIKeyHEASAHJXZZYRSF-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide (PubChem CID 110004284) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
PubChem CID110004284
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO2/c17-12-3-1-10(2-4-12)15(9-21)20-16(22)8-11-7-13(18)5-6-14(11)19/h1-7,15,21H,8-9H2,(H,20,22)
InChIKeyHEASAHJXZZYRSF-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-(2-hydroxy-1-naphthalen-2-ylethyl)acetamide
CID 23573503
2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
CID 114300048
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
CID 110004624
1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea
CID 110007147
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide (CID 110004284) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide is O=C(Cc1cc(F)ccc1F)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide?
The InChIKey is HEASAHJXZZYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-12-3-1-10(2-4-12)15(9-21)20-16(22)8-11-7-13(18)5-6-14(11)19/h1-7,15,21H,8-9H2,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide has a molecular weight of 325.74 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 110004284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).