N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide

C16H17Cl2N3O — CID 109010323

IUPACN-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCN(C)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N3O/c1-21(2)12-8-6-11(7-9-12)19-10-15(22)20-14-5-3-4-13(17)16(14)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyJQZIMTZZCICGDH-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.11
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide

N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide (PubChem CID 109010323) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
PubChem CID109010323
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCN(C)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N3O/c1-21(2)12-8-6-11(7-9-12)19-10-15(22)20-14-5-3-4-13(17)16(14)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyJQZIMTZZCICGDH-UHFFFAOYSA-N
XLogP4.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylamino)anilino]propanamide
CID 109038286
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
methyl 2-[[2-[4-(dimethylamino)anilino]acetyl]amino]benzoate
CID 109010084

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide (CID 109010323) is N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide is CN(C)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide?
The InChIKey is JQZIMTZZCICGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-21(2)12-8-6-11(7-9-12)19-10-15(22)20-14-5-3-4-13(17)16(14)18/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide?
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide has a molecular weight of 338.24 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide is sourced from PubChem (CID 109010323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).