(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one

C15H10BrN3O — CID 141419915

IUPAC(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
SMILES[N-]=[N+]=N/C(=C\c1ccccc1Br)C(=O)c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)10-14(18-19-17)15(20)11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyJLIGZFBPYYGXHF-UVTDQMKNSA-N
MW328.17 g/mol
LogP4.98
Rot. Bonds4

About (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one

(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one (PubChem CID 141419915) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
PubChem CID141419915
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
SMILES[N-]=[N+]=N/C(=C\c1ccccc1Br)C(=O)c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)10-14(18-19-17)15(20)11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyJLIGZFBPYYGXHF-UVTDQMKNSA-N
XLogP4.98
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.98
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-(2-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 135071485
(2Z)-4-azido-2-[(2-bromophenyl)methylidene]-1-phenylbutan-1-one
CID 71485331
2-oxo-2-phenylacetyl azide
CID 54447915
(E)-2-azido-3-(2-bromo-4-chlorophenyl)prop-2-enoic acid
CID 135358484
(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 102102284
(Z)-2-azido-3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 135073165
imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium
CID 6333032
benzoyl azide;hydrochloride
CID 174620684
3-(2-bromophenyl)-2-chloroprop-2-enoic acid
CID 175924975
methyl (Z)-2-azido-3-(2-chlorophenyl)prop-2-enoate
CID 71567268
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268
methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
CID 155259038

Frequently Asked Questions

What is the IUPAC name of (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one (CID 141419915) is (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one is [N-]=[N+]=N/C(=C\c1ccccc1Br)C(=O)c1ccccc1.
What is the InChIKey of (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is JLIGZFBPYYGXHF-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)10-14(18-19-17)15(20)11-6-2-1-3-7-11/h1-10H/b14-10-.
What are the key properties of (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one?
(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one has a molecular weight of 328.17 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 141419915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).