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

C19H21Cl2NO3 — CID 55797782

IUPAC2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1cccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(2)24-11-15-5-3-4-14(8-15)10-22-19(23)12-25-16-6-7-17(20)18(21)9-16/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyRMMMOUKWTMHJST-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.61
Rot. Bonds8

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

2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 55797782) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID55797782
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1cccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(2)24-11-15-5-3-4-14(8-15)10-22-19(23)12-25-16-6-7-17(20)18(21)9-16/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyRMMMOUKWTMHJST-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
CID 48677738
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
2-(3,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638249
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748360
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
2-(3,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 55660605
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 55797782) is 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CC(C)OCc1cccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is RMMMOUKWTMHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-13(2)24-11-15-5-3-4-14(8-15)10-22-19(23)12-25-16-6-7-17(20)18(21)9-16/h3-9,13H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 382.29 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55797782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).