2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H22ClNO3 — CID 111422677

IUPAC2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)24-17-8-6-15(7-9-17)18(22)12-21-19(23)11-14-4-3-5-16(20)10-14/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyPQJVANFMIQAFRN-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 111422677) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID111422677
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)24-17-8-6-15(7-9-17)18(22)12-21-19(23)11-14-4-3-5-16(20)10-14/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyPQJVANFMIQAFRN-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
2-(3-fluoroanilino)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71968998
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 139007179
N-[2-[[N-ethyl-N'-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 109493733
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 111422677) is 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(C(O)CNC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is PQJVANFMIQAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)24-17-8-6-15(7-9-17)18(22)12-21-19(23)11-14-4-3-5-16(20)10-14/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 347.84 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 111422677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).