(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone

C17H18BrNO — CID 115483328

IUPAC(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(N)cc(Br)c2)cc1CC
InChIInChI=1S/C17H18BrNO/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10H,3-4,19H2,1-2H3
InChIKeyZNANPLDWXICKSH-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.39
Rot. Bonds4

About (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone

(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone (PubChem CID 115483328) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
PubChem CID115483328
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(N)cc(Br)c2)cc1CC
InChIInChI=1S/C17H18BrNO/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10H,3-4,19H2,1-2H3
InChIKeyZNANPLDWXICKSH-UHFFFAOYSA-N
XLogP4.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-amino-5-bromophenyl)-(3,4-diethylphenyl)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

(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
CID 115483333
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
CID 115481807
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116597248
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
(3-amino-5-bromophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133436
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
CID 116597198
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104550883

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone (CID 115483328) is (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone is CCc1ccc(C(=O)c2cc(N)cc(Br)c2)cc1CC.
What is the InChIKey of (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone?
The InChIKey is ZNANPLDWXICKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10H,3-4,19H2,1-2H3.
What are the key properties of (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone?
(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone has a molecular weight of 332.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone is sourced from PubChem (CID 115483328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).