2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

C15H15Cl2N3O — CID 63110506

IUPAC2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)11-5-3-9(16)7-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyLUCAMIFFIXTRCS-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.89
Rot. Bonds3

About 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (PubChem CID 63110506) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
PubChem CID63110506
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)11-5-3-9(16)7-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyLUCAMIFFIXTRCS-UHFFFAOYSA-N
XLogP3.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (CID 63110506) is 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The InChIKey is LUCAMIFFIXTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)11-5-3-9(16)7-12(11)18/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide has a molecular weight of 324.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 63110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).