2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide

C15H15ClN2O2 — CID 122178856

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccn1
InChIInChI=1S/C15H15ClN2O2/c16-13-9-11(4-5-14(13)19)10-15(20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,19H,6,8,10H2,(H,18,20)
InChIKeyYNQHVYLYZVDJOD-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.34
Rot. Bonds5

About 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide

2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 122178856) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID122178856
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccn1
InChIInChI=1S/C15H15ClN2O2/c16-13-9-11(4-5-14(13)19)10-15(20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,19H,6,8,10H2,(H,18,20)
InChIKeyYNQHVYLYZVDJOD-UHFFFAOYSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16221581
7-[2-(3,5-Dichloro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
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N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
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US20200361871A1, Example 5.21
CID 139347753
2-Chloro-4-{2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl}phenol
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3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 118740684
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one
CID 155543690
N-((S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 165405128
N-((S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl)-3-(pyridin-4-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 165405357
3-(5-chloro-2-pyridinyl)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025351
(R)-N-((S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl)-3-(pyridin-4-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025465
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CID 45174151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide (CID 122178856) is 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccn1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is YNQHVYLYZVDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-9-11(4-5-14(13)19)10-15(20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,19H,6,8,10H2,(H,18,20).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 122178856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).