2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

C16H15Cl2NO3 — CID 141052915

IUPAC2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3/c1-21-12-4-5-13(16(19)20)15(9-12)22-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20)
InChIKeyLPBHSECELSCKEQ-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (PubChem CID 141052915) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
PubChem CID141052915
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3/c1-21-12-4-5-13(16(19)20)15(9-12)22-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20)
InChIKeyLPBHSECELSCKEQ-UHFFFAOYSA-N
XLogP3.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
CID 91128436
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
CID 18272979
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 20990454
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
4-chloro-2-methoxybenzamide
CID 19741766
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]benzamide
CID 90967549
4-chloro-2-ethoxybenzamide
CID 126998915
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (CID 141052915) is 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The InChIKey is LPBHSECELSCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-21-12-4-5-13(16(19)20)15(9-12)22-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide has a molecular weight of 340.21 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is sourced from PubChem (CID 141052915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).