(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone

C15H14BrNO3 — CID 116591846

IUPAC(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(Br)cc2N)c1
InChIInChI=1S/C15H14BrNO3/c1-19-10-4-6-14(20-2)12(8-10)15(18)11-5-3-9(16)7-13(11)17/h3-8H,17H2,1-2H3
InChIKeyWKLNYBXATKPYBG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.28
Rot. Bonds4

About (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone

(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 116591846) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
PubChem CID116591846
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(Br)cc2N)c1
InChIInChI=1S/C15H14BrNO3/c1-19-10-4-6-14(20-2)12(8-10)15(18)11-5-3-9(16)7-13(11)17/h3-8H,17H2,1-2H3
InChIKeyWKLNYBXATKPYBG-UHFFFAOYSA-N
XLogP3.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone (CID 116591846) is (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2ccc(Br)cc2N)c1.
What is the InChIKey of (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is WKLNYBXATKPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-10-4-6-14(20-2)12(8-10)15(18)11-5-3-9(16)7-13(11)17/h3-8H,17H2,1-2H3.
What are the key properties of (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone?
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 336.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116591846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).