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

C25H24ClNO5 — CID 4793502

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC
InChIInChI=1S/C25H24ClNO5/c1-27(15-19-5-4-6-22(30-2)25(19)31-3)23(28)16-32-21-13-9-18(10-14-21)24(29)17-7-11-20(26)12-8-17/h4-14H,15-16H2,1-3H3
InChIKeyFSHHJBNFMCJORJ-UHFFFAOYSA-N
MW453.92 g/mol
LogP4.63
Rot. Bonds9

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

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 4793502) has the molecular formula C25H24ClNO5 and a molecular weight of 453.92 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID4793502
Molecular FormulaC25H24ClNO5
Molecular Weight453.92 g/mol
Exact Mass453.13
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC
InChIInChI=1S/C25H24ClNO5/c1-27(15-19-5-4-6-22(30-2)25(19)31-3)23(28)16-32-21-13-9-18(10-14-21)24(29)17-7-11-20(26)12-8-17/h4-14H,15-16H2,1-3H3
InChIKeyFSHHJBNFMCJORJ-UHFFFAOYSA-N
XLogP4.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (CID 4793502) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1OC.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is FSHHJBNFMCJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO5/c1-27(15-19-5-4-6-22(30-2)25(19)31-3)23(28)16-32-21-13-9-18(10-14-21)24(29)17-7-11-20(26)12-8-17/h4-14H,15-16H2,1-3H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 453.92 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 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]-N-methylacetamide is sourced from PubChem (CID 4793502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).