N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide

C21H25Cl2N3O2 — CID 55354113

IUPACN-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(13-20(27)24-15(2)16-7-5-4-6-8-16)14-21(28)25-19-10-9-17(22)12-18(19)23/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXIYBFZUGIQVEGB-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.52
Rot. Bonds9

About N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide

N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide (PubChem CID 55354113) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
PubChem CID55354113
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC NameN-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(13-20(27)24-15(2)16-7-5-4-6-8-16)14-21(28)25-19-10-9-17(22)12-18(19)23/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXIYBFZUGIQVEGB-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide with MolForge

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Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2-oxothiolan-3-yl)acetamide
CID 71866129
N-(2,4-dichlorophenyl)-2-[(2-hydroxy-3-propan-2-yloxypropyl)-propylamino]acetamide
CID 78831944
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide (CID 55354113) is N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide?
The InChIKey is XIYBFZUGIQVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-11-26(13-20(27)24-15(2)16-7-5-4-6-8-16)14-21(28)25-19-10-9-17(22)12-18(19)23/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide?
N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide is sourced from PubChem (CID 55354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).