(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone

C15H12BrCl2NO2 — CID 104662563

IUPAC(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(N)c(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H12BrCl2NO2/c1-2-21-13-4-3-8(5-10(13)16)15(20)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3
InChIKeyDAIHCEUJJUPXQA-UHFFFAOYSA-N
MW389.08 g/mol
LogP4.97
Rot. Bonds4

About (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone

(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (PubChem CID 104662563) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
PubChem CID104662563
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(N)c(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H12BrCl2NO2/c1-2-21-13-4-3-8(5-10(13)16)15(20)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3
InChIKeyDAIHCEUJJUPXQA-UHFFFAOYSA-N
XLogP4.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.08
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
1-(3-bromo-4-ethoxyphenyl)-2-methylsulfonylethanone
CID 104656757
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662550

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (CID 104662563) is (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(N)c(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The InChIKey is DAIHCEUJJUPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-2-21-13-4-3-8(5-10(13)16)15(20)9-6-11(17)14(18)12(19)7-9/h3-7H,2,19H2,1H3.
What are the key properties of (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone has a molecular weight of 389.08 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is sourced from PubChem (CID 104662563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).