3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide

C15H14BrClN2O — CID 115930129

IUPAC3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14BrClN2O/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(18)13(11)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLSYUCMKYFAIGER-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.55
Rot. Bonds2

About 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide

3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide (PubChem CID 115930129) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
PubChem CID115930129
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14BrClN2O/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(18)13(11)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLSYUCMKYFAIGER-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.55
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

3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide (CID 115930129) is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide?
The InChIKey is LSYUCMKYFAIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(18)13(11)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide?
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 115930129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).