4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide

C16H17BrN2O2 — CID 78987938

IUPAC4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C16H17BrN2O2/c1-19(2)14-7-5-4-6-13(14)18-16(20)12-9-8-11(17)10-15(12)21-3/h4-10H,1-3H3,(H,18,20)
InChIKeyAOFPOPPXEPKQBM-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.78
Rot. Bonds4

About 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide

4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide (PubChem CID 78987938) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
PubChem CID78987938
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C16H17BrN2O2/c1-19(2)14-7-5-4-6-13(14)18-16(20)12-9-8-11(17)10-15(12)21-3/h4-10H,1-3H3,(H,18,20)
InChIKeyAOFPOPPXEPKQBM-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide (CID 78987938) is 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide?
The InChIKey is AOFPOPPXEPKQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-19(2)14-7-5-4-6-13(14)18-16(20)12-9-8-11(17)10-15(12)21-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide?
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 78987938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).