2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide

C19H22ClNO4 — CID 47000419

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
SMILESCCOc1cccc(CN(CCO)C(=O)Cc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C19H22ClNO4/c1-2-25-16-5-3-4-15(10-16)13-21(8-9-22)19(24)12-14-6-7-18(23)17(20)11-14/h3-7,10-11,22-23H,2,8-9,12-13H2,1H3
InChIKeyQAGIJFFAJAOIAM-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.01
Rot. Bonds8

About 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 47000419) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
PubChem CID47000419
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
SMILESCCOc1cccc(CN(CCO)C(=O)Cc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C19H22ClNO4/c1-2-25-16-5-3-4-15(10-16)13-21(8-9-22)19(24)12-14-6-7-18(23)17(20)11-14/h3-7,10-11,22-23H,2,8-9,12-13H2,1H3
InChIKeyQAGIJFFAJAOIAM-UHFFFAOYSA-N
XLogP3.01
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 46986143
(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 126454840
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 113222065
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide (CID 47000419) is 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide is CCOc1cccc(CN(CCO)C(=O)Cc2ccc(O)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is QAGIJFFAJAOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-2-25-16-5-3-4-15(10-16)13-21(8-9-22)19(24)12-14-6-7-18(23)17(20)11-14/h3-7,10-11,22-23H,2,8-9,12-13H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 363.84 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 47000419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).