2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide

C24H24ClN3O3 — CID 2562953

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c1-28(16-24(30)27-21-14-18(25)12-13-22(21)31-2)15-23(29)26-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRTXIYLGGGGGVEB-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.52
Rot. Bonds8

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide (PubChem CID 2562953) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide
PubChem CID2562953
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c1-28(16-24(30)27-21-14-18(25)12-13-22(21)31-2)15-23(29)26-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRTXIYLGGGGGVEB-UHFFFAOYSA-N
XLogP4.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide (CID 2562953) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide?
The InChIKey is RTXIYLGGGGGVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-28(16-24(30)27-21-14-18(25)12-13-22(21)31-2)15-23(29)26-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide has a molecular weight of 437.93 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2562953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).