5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide

C15H15BrClN3O — CID 81252329

IUPAC5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-7-9(17)3-5-12(13)16/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyQZABGPQZRNRYRC-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.00
Rot. Bonds3

About 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide

5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide (PubChem CID 81252329) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
PubChem CID81252329
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-7-9(17)3-5-12(13)16/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyQZABGPQZRNRYRC-UHFFFAOYSA-N
XLogP4.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
CID 61095320
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide (CID 81252329) is 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide?
The InChIKey is QZABGPQZRNRYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-7-9(17)3-5-12(13)16/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide?
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide is sourced from PubChem (CID 81252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).