3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide

C15H14BrClN2O2 — CID 60928593

IUPAC3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14BrClN2O2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZJPFZYFCTIVKHG-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.25
Rot. Bonds3

About 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide

3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide (PubChem CID 60928593) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
PubChem CID60928593
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14BrClN2O2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZJPFZYFCTIVKHG-UHFFFAOYSA-N
XLogP4.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.25
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

4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(4-bromo-2-methoxy-6-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81227978
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide (CID 60928593) is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide is COc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide?
The InChIKey is ZJPFZYFCTIVKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide?
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide has a molecular weight of 369.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 60928593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).