2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide

C17H16Cl2N2O2 — CID 134062889

IUPAC2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-20-16(22)9-11-5-7-12(8-6-11)21-17(23)10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJIUTPHLOQOCFC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide

2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide (PubChem CID 134062889) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
PubChem CID134062889
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-20-16(22)9-11-5-7-12(8-6-11)21-17(23)10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJIUTPHLOQOCFC-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide (CID 134062889) is 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide?
The InChIKey is IJIUTPHLOQOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-20-16(22)9-11-5-7-12(8-6-11)21-17(23)10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide?
2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide has a molecular weight of 351.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 134062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).