N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide

C17H19ClN2O2 — CID 144619641

IUPACN-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide
SMILESCN(C)CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19ClN2O2/c1-19(2)12-17(22)20(15-7-9-16(21)10-8-15)11-13-3-5-14(18)6-4-13/h3-10,21H,11-12H2,1-2H3
InChIKeyYDMWHYMTYMBSAC-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide (PubChem CID 144619641) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide
PubChem CID144619641
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide
SMILESCN(C)CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19ClN2O2/c1-19(2)12-17(22)20(15-7-9-16(21)10-8-15)11-13-3-5-14(18)6-4-13/h3-10,21H,11-12H2,1-2H3
InChIKeyYDMWHYMTYMBSAC-UHFFFAOYSA-N
XLogP3.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide (CID 144619641) is N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide is CN(C)CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide?
The InChIKey is YDMWHYMTYMBSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-19(2)12-17(22)20(15-7-9-16(21)10-8-15)11-13-3-5-14(18)6-4-13/h3-10,21H,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 144619641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).