N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide

C21H17Cl3N2O — CID 2538159

IUPACN-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1NCc1ccccc1
InChIInChI=1S/C21H17Cl3N2O/c22-15-9-10-19(25-13-14-5-2-1-3-6-14)20(11-15)26-21(27)12-16-17(23)7-4-8-18(16)24/h1-11,25H,12-13H2,(H,26,27)
InChIKeyLMBRUCPTEMPVKD-UHFFFAOYSA-N
MW419.74 g/mol
LogP6.44
Rot. Bonds6

About N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 2538159) has the molecular formula C21H17Cl3N2O and a molecular weight of 419.74 g/mol. Its IUPAC name is N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID2538159
Molecular FormulaC21H17Cl3N2O
Molecular Weight419.74 g/mol
Exact Mass418.04
IUPAC NameN-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1NCc1ccccc1
InChIInChI=1S/C21H17Cl3N2O/c22-15-9-10-19(25-13-14-5-2-1-3-6-14)20(11-15)26-21(27)12-16-17(23)7-4-8-18(16)24/h1-11,25H,12-13H2,(H,26,27)
InChIKeyLMBRUCPTEMPVKD-UHFFFAOYSA-N
XLogP6.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
N-(2-bromo-5-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271948
N-(2-bromo-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271848
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7936906
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
CID 81271927
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide (CID 2538159) is N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is LMBRUCPTEMPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O/c22-15-9-10-19(25-13-14-5-2-1-3-6-14)20(11-15)26-21(27)12-16-17(23)7-4-8-18(16)24/h1-11,25H,12-13H2,(H,26,27).
What are the key properties of N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 419.74 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-5-chlorophenyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 2538159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).