N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide

C18H17Cl2NO3 — CID 7788200

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-15(22)12-5-7-13(8-6-12)24-10-16(23)21-18-14(19)9-4-11(2)17(18)20/h4-9H,3,10H2,1-2H3,(H,21,23)
InChIKeyZKJQXNYZZYYFQX-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.91
Rot. Bonds6

About N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide

N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 7788200) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID7788200
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-15(22)12-5-7-13(8-6-12)24-10-16(23)21-18-14(19)9-4-11(2)17(18)20/h4-9H,3,10H2,1-2H3,(H,21,23)
InChIKeyZKJQXNYZZYYFQX-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744134
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791670
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
N-(2,6-dichloro-3-methylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7840994
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
N-(5-methyl-2-pyridinyl)-2-(4-propanoylphenoxy)acetamide
CID 18106801
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507950
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-propanoylphenoxy)acetamide
CID 2709616

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide (CID 7788200) is N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is ZKJQXNYZZYYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-3-15(22)12-5-7-13(8-6-12)24-10-16(23)21-18-14(19)9-4-11(2)17(18)20/h4-9H,3,10H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 366.24 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7788200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).