N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide

C18H18Cl3N3O2 — CID 9287193

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3N3O2/c1-24(10-16(25)22-9-12-5-2-3-6-13(12)19)11-17(26)23-18-14(20)7-4-8-15(18)21/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyNNJGKMXNVMJMNR-UHFFFAOYSA-N
MW414.72 g/mol
LogP3.83
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9287193) has the molecular formula C18H18Cl3N3O2 and a molecular weight of 414.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9287193
Molecular FormulaC18H18Cl3N3O2
Molecular Weight414.72 g/mol
Exact Mass413.05
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3N3O2/c1-24(10-16(25)22-9-12-5-2-3-6-13(12)19)11-17(26)23-18-14(20)7-4-8-15(18)21/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyNNJGKMXNVMJMNR-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847
methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011489
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41445035
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9287193) is N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is NNJGKMXNVMJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O2/c1-24(10-16(25)22-9-12-5-2-3-6-13(12)19)11-17(26)23-18-14(20)7-4-8-15(18)21/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 414.72 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9287193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).