2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide

C23H21ClN2O5 — CID 1255219

IUPAC2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C23H21ClN2O5/c1-29-16-8-10-17(11-9-16)31-14-22(27)25-15-7-12-20(21(13-15)30-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBITIVOJBBLYXSZ-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.63
Rot. Bonds8

About 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide

2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1255219) has the molecular formula C23H21ClN2O5 and a molecular weight of 440.88 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1255219
Molecular FormulaC23H21ClN2O5
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC Name2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C23H21ClN2O5/c1-29-16-8-10-17(11-9-16)31-14-22(27)25-15-7-12-20(21(13-15)30-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBITIVOJBBLYXSZ-UHFFFAOYSA-N
XLogP4.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide (CID 1255219) is 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide is COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is BITIVOJBBLYXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5/c1-29-16-8-10-17(11-9-16)31-14-22(27)25-15-7-12-20(21(13-15)30-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide?
2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 440.88 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1255219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).