N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide

C17H18ClNO2 — CID 95567536

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C17H18ClNO2/c1-12(13-7-9-15(18)10-8-13)19(2)17(21)11-14-5-3-4-6-16(14)20/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyXYUNAMBNNOWACF-GFCCVEGCSA-N
MW303.79 g/mol
LogP3.81
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 95567536) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID95567536
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C17H18ClNO2/c1-12(13-7-9-15(18)10-8-13)19(2)17(21)11-14-5-3-4-6-16(14)20/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyXYUNAMBNNOWACF-GFCCVEGCSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}ethyl)benzamide
CID 596209
2-(3,4-Dichloro-phenyl)-N-[1-(3-hydroxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide
CID 15130852
4-chloro-N-(2-{3-[(diethylamino)methyl]-4-hydroxyphenyl}ethyl)benzamide
CID 5235390
2-(3,4-Dichloro-phenyl)-N-[1-(2-hydroxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide
CID 15130850
(4-Chlorophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 132941103
N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 2960667
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide
CID 9115794
5-Chloro-2-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl]phenol
CID 70770911
1-(2-Chloroacetyl)-6-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3-methylpiperidin-4-one
CID 90682529
(4-Chlorophenyl)-[1-(2-hydroxybenzoyl)piperidin-4-yl]methanone
CID 162675138
2-(4-chlorobenzyl)-5-hydroxy-3,4-dihydroisoquinolin-1(2H)-one
CID 33677298
1-[2-(4-Chlorophenyl)pyrrolidin-1-YL]-2-(2-methoxyphenyl)ethan-1-one
CID 50747376

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide (CID 95567536) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide is C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is XYUNAMBNNOWACF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(13-7-9-15(18)10-8-13)19(2)17(21)11-14-5-3-4-6-16(14)20/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 303.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 95567536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).