2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide

C26H28ClN3O2 — CID 16554961

IUPAC2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28ClN3O2/c1-3-30(17-24(31)28-23-16-22(27)15-14-19(23)2)18-25(32)29-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,26H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKQOXQZHLBVVGGJ-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.81
Rot. Bonds9

About 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide

2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 16554961) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID16554961
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28ClN3O2/c1-3-30(17-24(31)28-23-16-22(27)15-14-19(23)2)18-25(32)29-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,26H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKQOXQZHLBVVGGJ-UHFFFAOYSA-N
XLogP4.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
2-[[2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]acetyl]amino]-5-chlorobenzoic acid
CID 67165287
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (CID 16554961) is 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is KQOXQZHLBVVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-3-30(17-24(31)28-23-16-22(27)15-14-19(23)2)18-25(32)29-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,26H,3,17-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 449.98 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 16554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).