N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide

C14H12Br2N2O2 — CID 115368533

IUPACN-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-7-9(16)2-4-10(13)14(19)18-12-5-3-8(15)6-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBWMAGINCSOQKPJ-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide

N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide (PubChem CID 115368533) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
PubChem CID115368533
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-7-9(16)2-4-10(13)14(19)18-12-5-3-8(15)6-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBWMAGINCSOQKPJ-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.05
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-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide (CID 115368533) is N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccc(Br)cc1N.
What is the InChIKey of N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide?
The InChIKey is BWMAGINCSOQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-13-7-9(16)2-4-10(13)14(19)18-12-5-3-8(15)6-11(12)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide?
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide has a molecular weight of 400.07 g/mol, XLogP of 4.05, 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-bromophenyl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 115368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).