N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide

C14H12BrClN2O2 — CID 100828548

IUPACN-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H12BrClN2O2/c1-20-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRUGZERLOSZMAPD-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide

N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide (PubChem CID 100828548) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
PubChem CID100828548
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H12BrClN2O2/c1-20-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRUGZERLOSZMAPD-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.95
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

N-(4-amino-2-chloro-6-methylphenyl)-2-methoxybenzamide
CID 100817238
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide?
The IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide (CID 100828548) is N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide is COc1cc(N)cc(Cl)c1NC(=O)c1ccccc1Br.
What is the InChIKey of N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide?
The InChIKey is RUGZERLOSZMAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide?
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide has a molecular weight of 355.62 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide is sourced from PubChem (CID 100828548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).