2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C22H26Cl2N4O3 — CID 46673965

IUPAC2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C22H26Cl2N4O3/c1-3-28(17-6-4-5-15(2)11-17)10-9-25-20(29)13-26-21(30)14-27-22(31)18-8-7-16(23)12-19(18)24/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyFOCRNJTZYSWFQK-UHFFFAOYSA-N
MW465.38 g/mol
LogP2.79
Rot. Bonds10

About 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 46673965) has the molecular formula C22H26Cl2N4O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID46673965
Molecular FormulaC22H26Cl2N4O3
Molecular Weight465.38 g/mol
Exact Mass464.14
IUPAC Name2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C22H26Cl2N4O3/c1-3-28(17-6-4-5-15(2)11-17)10-9-25-20(29)13-26-21(30)14-27-22(31)18-8-7-16(23)12-19(18)24/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyFOCRNJTZYSWFQK-UHFFFAOYSA-N
XLogP2.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111330654
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
1-(4-chlorophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91357633
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 46673965) is 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is CCN(CCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is FOCRNJTZYSWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3/c1-3-28(17-6-4-5-15(2)11-17)10-9-25-20(29)13-26-21(30)14-27-22(31)18-8-7-16(23)12-19(18)24/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 465.38 g/mol, XLogP of 2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46673965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).