2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

C24H22ClNO5 — CID 55665042

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC
InChIInChI=1S/C24H22ClNO5/c1-29-21-5-3-4-18(24(21)30-2)14-26-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-19(25)11-7-16/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyQFYUWFFZYNBLNC-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.28
Rot. Bonds9

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (PubChem CID 55665042) has the molecular formula C24H22ClNO5 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
PubChem CID55665042
Molecular FormulaC24H22ClNO5
Molecular Weight439.90 g/mol
Exact Mass439.12
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC
InChIInChI=1S/C24H22ClNO5/c1-29-21-5-3-4-18(24(21)30-2)14-26-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-19(25)11-7-16/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyQFYUWFFZYNBLNC-UHFFFAOYSA-N
XLogP4.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 31132082
[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
CID 71823659
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (CID 55665042) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The InChIKey is QFYUWFFZYNBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO5/c1-29-21-5-3-4-18(24(21)30-2)14-26-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-19(25)11-7-16/h3-13H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide has a molecular weight of 439.90 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55665042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).