2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide

C18H17Cl3N2O2 — CID 113167057

IUPAC2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(9-8-13-2-3-15(20)10-17(13)21)11-18(25)22-16-6-4-14(19)5-7-16/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyHMEGCHQJTJAOKS-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.68
Rot. Bonds6

About 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide

2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide (PubChem CID 113167057) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
PubChem CID113167057
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(9-8-13-2-3-15(20)10-17(13)21)11-18(25)22-16-6-4-14(19)5-7-16/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyHMEGCHQJTJAOKS-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide (CID 113167057) is 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide is CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is HMEGCHQJTJAOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-12(24)23(9-8-13-2-3-15(20)10-17(13)21)11-18(25)22-16-6-4-14(19)5-7-16/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 399.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113167057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).