3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide

C14H12BrClN2O2 — CID 82857386

IUPAC3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-12(16)13(17)4-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAOKIBCZIFQQCSX-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide

3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide (PubChem CID 82857386) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
PubChem CID82857386
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-12(16)13(17)4-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAOKIBCZIFQQCSX-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

4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 82859108
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide?
The IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide (CID 82857386) is 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide is COc1cc(Br)cc(NC(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide?
The InChIKey is AOKIBCZIFQQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-12(16)13(17)4-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide?
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide 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 3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide is sourced from PubChem (CID 82857386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).