2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

C23H25ClN2O4 — CID 55765796

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCCCC1=O
InChIInChI=1S/C23H25ClN2O4/c24-19-9-5-17(6-10-19)23(29)18-7-11-20(12-8-18)30-16-21(27)25-13-15-26-14-3-1-2-4-22(26)28/h5-12H,1-4,13-16H2,(H,25,27)
InChIKeyIMCWSBYRCMJWKW-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.47
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (PubChem CID 55765796) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
PubChem CID55765796
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCCCC1=O
InChIInChI=1S/C23H25ClN2O4/c24-19-9-5-17(6-10-19)23(29)18-7-11-20(12-8-18)30-16-21(27)25-13-15-26-14-3-1-2-4-22(26)28/h5-12H,1-4,13-16H2,(H,25,27)
InChIKeyIMCWSBYRCMJWKW-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
CID 8916560
2-(3-fluorophenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722805
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
1-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55886637
2-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
2-(4-chlorophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78779568
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
CID 55694248
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (CID 55765796) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCCCC1=O.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The InChIKey is IMCWSBYRCMJWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c24-19-9-5-17(6-10-19)23(29)18-7-11-20(12-8-18)30-16-21(27)25-13-15-26-14-3-1-2-4-22(26)28/h5-12H,1-4,13-16H2,(H,25,27).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 55765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).