5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide

C17H19BrN2O — CID 102704950

IUPAC5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c(C)cc(Br)cc2C)cc1N
InChIInChI=1S/C17H19BrN2O/c1-9-5-10(2)15(19)8-14(9)17(21)20-16-11(3)6-13(18)7-12(16)4/h5-8H,19H2,1-4H3,(H,20,21)
InChIKeyVPVQAQRDIBCNPQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.52
Rot. Bonds2

About 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide

5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide (PubChem CID 102704950) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
PubChem CID102704950
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c(C)cc(Br)cc2C)cc1N
InChIInChI=1S/C17H19BrN2O/c1-9-5-10(2)15(19)8-14(9)17(21)20-16-11(3)6-13(18)7-12(16)4/h5-8H,19H2,1-4H3,(H,20,21)
InChIKeyVPVQAQRDIBCNPQ-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide (CID 102704950) is 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2c(C)cc(Br)cc2C)cc1N.
What is the InChIKey of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide?
The InChIKey is VPVQAQRDIBCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-9-5-10(2)15(19)8-14(9)17(21)20-16-11(3)6-13(18)7-12(16)4/h5-8H,19H2,1-4H3,(H,20,21).
What are the key properties of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide?
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102704950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).