4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide

C22H19ClN2O4 — CID 7816201

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)25-22(27)15-6-10-17(11-7-15)24-21(26)14-29-18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNIVOMBQLTMEPHL-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.62
Rot. Bonds7

About 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 7816201) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID7816201
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)25-22(27)15-6-10-17(11-7-15)24-21(26)14-29-18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNIVOMBQLTMEPHL-UHFFFAOYSA-N
XLogP4.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 7816201) is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is NIVOMBQLTMEPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)25-22(27)15-6-10-17(11-7-15)24-21(26)14-29-18-12-8-16(23)9-13-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 410.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 7816201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).