N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide

C17H18ClNO2 — CID 62729336

IUPACN-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C17H18ClNO2/c1-12(15-8-3-4-9-16(15)18)19(2)17(21)11-13-6-5-7-14(20)10-13/h3-10,12,20H,11H2,1-2H3
InChIKeyDHMKTZRRGSLMBN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide

N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 62729336) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID62729336
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C17H18ClNO2/c1-12(15-8-3-4-9-16(15)18)19(2)17(21)11-13-6-5-7-14(20)10-13/h3-10,12,20H,11H2,1-2H3
InChIKeyDHMKTZRRGSLMBN-UHFFFAOYSA-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

2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55173941
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 64610155
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-(3-hydroxyphenyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55000494
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide (CID 62729336) is N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide is CC(c1ccccc1Cl)N(C)C(=O)Cc1cccc(O)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is DHMKTZRRGSLMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(15-8-3-4-9-16(15)18)19(2)17(21)11-13-6-5-7-14(20)10-13/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
N-[1-(2-chlorophenyl)ethyl]-2-(3-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-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 62729336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).