2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide

C16H13Cl5N2O — CID 18282633

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccccc1Cl
InChIInChI=1S/C16H13Cl5N2O/c1-23(7-9-4-2-3-5-10(9)17)8-13(24)22-16-14(20)11(18)6-12(19)15(16)21/h2-6H,7-8H2,1H3,(H,22,24)
InChIKeyRZCHJZRFPOJHHX-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.02
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 18282633) has the molecular formula C16H13Cl5N2O and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID18282633
Molecular FormulaC16H13Cl5N2O
Molecular Weight426.56 g/mol
Exact Mass423.95
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccccc1Cl
InChIInChI=1S/C16H13Cl5N2O/c1-23(7-9-4-2-3-5-10(9)17)8-13(24)22-16-14(20)11(18)6-12(19)15(16)21/h2-6H,7-8H2,1H3,(H,22,24)
InChIKeyRZCHJZRFPOJHHX-UHFFFAOYSA-N
XLogP6.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9057937
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 18282633) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide is CN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is RZCHJZRFPOJHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl5N2O/c1-23(7-9-4-2-3-5-10(9)17)8-13(24)22-16-14(20)11(18)6-12(19)15(16)21/h2-6H,7-8H2,1H3,(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 426.56 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 18282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).