4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide

C22H19ClN2O4 — CID 1191645

IUPAC4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H19ClN2O4/c1-28-20-12-9-17(13-19(20)23)25-22(27)15-7-10-18(11-8-15)29-14-21(26)24-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyGZYVNANGTDVOLB-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.62
Rot. Bonds7

About 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide

4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 1191645) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID1191645
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H19ClN2O4/c1-28-20-12-9-17(13-19(20)23)25-22(27)15-7-10-18(11-8-15)29-14-21(26)24-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyGZYVNANGTDVOLB-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-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide (CID 1191645) is 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is GZYVNANGTDVOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-20-12-9-17(13-19(20)23)25-22(27)15-7-10-18(11-8-15)29-14-21(26)24-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide?
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-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-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 1191645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).