N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

C19H21Cl2NO3 — CID 1036548

IUPACN-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(2)8-9-24-15-4-3-5-16(11-15)25-12-19(23)22-18-7-6-14(20)10-17(18)21/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyIUAUUOOQKCPOGB-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.44
Rot. Bonds8

About N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (PubChem CID 1036548) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
PubChem CID1036548
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC NameN-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(2)8-9-24-15-4-3-5-16(11-15)25-12-19(23)22-18-7-6-14(20)10-17(18)21/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyIUAUUOOQKCPOGB-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733090
N-(3,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 2330512
N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 86689284
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 3406860
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (CID 1036548) is N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is CC(C)CCOc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The InChIKey is IUAUUOOQKCPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-13(2)8-9-24-15-4-3-5-16(11-15)25-12-19(23)22-18-7-6-14(20)10-17(18)21/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide has a molecular weight of 382.29 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is sourced from PubChem (CID 1036548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).