2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide

C21H25Cl2N3O4 — CID 2658488

IUPAC2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C21H25Cl2N3O4/c1-4-9-26(12-20(27)24-17-7-5-14(22)10-16(17)23)13-21(28)25-18-8-6-15(29-2)11-19(18)30-3/h5-8,10-11H,4,9,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVPULJVAVTMVZOS-UHFFFAOYSA-N
MW454.35 g/mol
LogP4.30
Rot. Bonds10

About 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide

2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 2658488) has the molecular formula C21H25Cl2N3O4 and a molecular weight of 454.35 g/mol. Its IUPAC name is 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID2658488
Molecular FormulaC21H25Cl2N3O4
Molecular Weight454.35 g/mol
Exact Mass453.12
IUPAC Name2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C21H25Cl2N3O4/c1-4-9-26(12-20(27)24-17-7-5-14(22)10-16(17)23)13-21(28)25-18-8-6-15(29-2)11-19(18)30-3/h5-8,10-11H,4,9,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVPULJVAVTMVZOS-UHFFFAOYSA-N
XLogP4.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 45374620
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2-[[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 60502016
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 2658488) is 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is VPULJVAVTMVZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4/c1-4-9-26(12-20(27)24-17-7-5-14(22)10-16(17)23)13-21(28)25-18-8-6-15(29-2)11-19(18)30-3/h5-8,10-11H,4,9,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 454.35 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2658488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).