(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'}

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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).