(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one

C15H9BrClN3O — CID 102102284

IUPAC(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=N/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClN3O/c16-12-5-3-11(4-6-12)15(21)14(19-20-18)9-10-1-7-13(17)8-2-10/h1-9H/b14-9-
InChIKeyQGWLGBDDEVVZCK-ZROIWOOFSA-N
MW362.61 g/mol
LogP5.64
Rot. Bonds4

About (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one

(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one (PubChem CID 102102284) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
PubChem CID102102284
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC Name(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=N/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClN3O/c16-12-5-3-11(4-6-12)15(21)14(19-20-18)9-10-1-7-13(17)8-2-10/h1-9H/b14-9-
InChIKeyQGWLGBDDEVVZCK-ZROIWOOFSA-N
XLogP5.64
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-azido-3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 135073165
(Z)-2-azido-3-(2-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 135071485
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
CID 13399245
1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(4-chlorophenyl)prop-2-en-1-one
CID 68544206
(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
CID 141419915
1-(4-bromophenyl)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]prop-2-en-1-one
CID 68539868
(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 24962921
1-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 68543126
(Z)-3-azido-4-(4-methylphenyl)but-3-en-2-one
CID 101033473
(E)-2-azido-3-(2-bromo-4-chlorophenyl)prop-2-enoic acid
CID 135358484
(E)-2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 24958182
(Z)-2-azido-3-(4-bromophenyl)-3-chloroprop-2-enal
CID 10869899

Frequently Asked Questions

What is the IUPAC name of (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one (CID 102102284) is (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one is [N-]=[N+]=N/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one?
The InChIKey is QGWLGBDDEVVZCK-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-12-5-3-11(4-6-12)15(21)14(19-20-18)9-10-1-7-13(17)8-2-10/h1-9H/b14-9-.
What are the key properties of (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one?
(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one has a molecular weight of 362.61 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 102102284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).