2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide

C25H25Cl2N3O3 — CID 55351296

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C25H25Cl2N3O3/c1-3-33-21-15-8-7-14-20(21)28-25(32)24(17-10-5-4-6-11-17)30(2)16-22(31)29-23-18(26)12-9-13-19(23)27/h4-15,24H,3,16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyRQFKHTIOXHHUBE-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.64
Rot. Bonds9

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 55351296) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID55351296
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C25H25Cl2N3O3/c1-3-33-21-15-8-7-14-20(21)28-25(32)24(17-10-5-4-6-11-17)30(2)16-22(31)29-23-18(26)12-9-13-19(23)27/h4-15,24H,3,16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyRQFKHTIOXHHUBE-UHFFFAOYSA-N
XLogP5.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[(2-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 55351620
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
CID 38508447
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
(2R)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 124738878

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 55351296) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is RQFKHTIOXHHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c1-3-33-21-15-8-7-14-20(21)28-25(32)24(17-10-5-4-6-11-17)30(2)16-22(31)29-23-18(26)12-9-13-19(23)27/h4-15,24H,3,16H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 486.40 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 55351296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).