(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one

C15H12BrNO — CID 44592179

IUPAC(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+
InChIKeyWUQQFBGNOOWCAG-XCVCLJGOSA-N
MW302.17 g/mol
LogP3.93
Rot. Bonds3

About (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one

(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one (PubChem CID 44592179) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
PubChem CID44592179
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+
InChIKeyWUQQFBGNOOWCAG-XCVCLJGOSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
2-Amino-5-bromobenzophenone
CID 99677
4,4'-Diaminobenzophenone
CID 69149
(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 5379238
(2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
CID 5354071
2-Propen-1-one, 3-(4-aminophenyl)-1-phenyl-
CID 5876675
1-(4-Bromophenyl)-3-(4-isopropylanilino)-1-propanone
CID 956953
(4-Aminophenyl)(4-fluorophenyl)methanone
CID 577826
1-(3-Amino-4-bromophenyl)ethan-1-one
CID 608294
4-bromo-N-phenylbenzamide
CID 690966
4-Phenylazophenacyl Bromide
CID 112886

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one (CID 44592179) is (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one is Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The InChIKey is WUQQFBGNOOWCAG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+.
What are the key properties of (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one has a molecular weight of 302.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one is sourced from PubChem (CID 44592179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).