3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide

C14H12BrClN2O2 — CID 107618351

IUPAC3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1N
InChIInChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyANQPYIFNGCQINV-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide

3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide (PubChem CID 107618351) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
PubChem CID107618351
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1N
InChIInChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyANQPYIFNGCQINV-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-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide (CID 107618351) is 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1N.
What is the InChIKey of 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide?
The InChIKey is ANQPYIFNGCQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide?
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide 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-(4-bromo-3-chlorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 107618351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).