2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide

C18H19Cl2NO2 — CID 52760083

IUPAC2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-12(2)23-11-13-4-3-5-16(8-13)21-18(22)9-14-6-7-15(19)10-17(14)20/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)
InChIKeyIXHNTLXCVHFGHM-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.10
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide

2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide (PubChem CID 52760083) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
PubChem CID52760083
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-12(2)23-11-13-4-3-5-16(8-13)21-18(22)9-14-6-7-15(19)10-17(14)20/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)
InChIKeyIXHNTLXCVHFGHM-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
2-(2,4-dichlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 32557297
3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
CID 120609902
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696
N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33013614

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide (CID 52760083) is 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide is CC(C)OCc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The InChIKey is IXHNTLXCVHFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12(2)23-11-13-4-3-5-16(8-13)21-18(22)9-14-6-7-15(19)10-17(14)20/h3-8,10,12H,9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide has a molecular weight of 352.26 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 52760083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).