(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide

C15H10BrClFNO — CID 7275257

IUPAC(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H10BrClFNO/c16-11-5-6-14(13(17)9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-9H,(H,19,20)/b7-4+
InChIKeyOQJJHKNYOCNNPM-QPJJXVBHSA-N
MW354.61 g/mol
LogP4.89
Rot. Bonds3

About (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide

(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 7275257) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide
PubChem CID7275257
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H10BrClFNO/c16-11-5-6-14(13(17)9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-9H,(H,19,20)/b7-4+
InChIKeyOQJJHKNYOCNNPM-QPJJXVBHSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide (CID 7275257) is (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is OQJJHKNYOCNNPM-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-11-5-6-14(13(17)9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-9H,(H,19,20)/b7-4+.
What are the key properties of (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 354.61 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 7275257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).