N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide

C14H12BrClN2O2 — CID 107997479

IUPACN-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(N)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-11(16)10(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMVWJYQKUTTZLIR-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide

N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide (PubChem CID 107997479) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
PubChem CID107997479
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(N)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-11(16)10(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMVWJYQKUTTZLIR-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-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide (CID 107997479) is N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide is COc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide?
The InChIKey is MVWJYQKUTTZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-11(16)10(15)6-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide?
N-(2-amino-4-methoxyphenyl)-3-bromo-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 N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 107997479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).