(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide

C14H12BrNO2 — CID 124650754

IUPAC(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
SMILESCc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1
InChIInChI=1S/C14H12BrNO2/c1-9-8-10(15)2-5-12(9)13-6-3-11(18-13)4-7-14(16)17/h2-8H,1H3,(H2,16,17)/b7-4-
InChIKeyUHRWDIOPEUISND-DAXSKMNVSA-N
MW306.16 g/mol
LogP3.52
Rot. Bonds3

About (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide

(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide (PubChem CID 124650754) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
PubChem CID124650754
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
SMILESCc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1
InChIInChI=1S/C14H12BrNO2/c1-9-8-10(15)2-5-12(9)13-6-3-11(18-13)4-7-14(16)17/h2-8H,1H3,(H2,16,17)/b7-4-
InChIKeyUHRWDIOPEUISND-DAXSKMNVSA-N
XLogP3.52
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 53395708
[(E)-[5-(4-bromo-2-methylphenyl)furan-2-yl]methylideneamino] acetate
CID 91674098
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678298
(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 132591109
(E)-N-(4-amino-2-bromo-6-methylphenyl)-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 100828433
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
CID 91686849
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675716
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
(E)-3-[4-bromo-5-(4-bromo-2-methoxyphenyl)furan-2-yl]prop-2-enamide
CID 50879117

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide (CID 124650754) is (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide is Cc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1.
What is the InChIKey of (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UHRWDIOPEUISND-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-8-10(15)2-5-12(9)13-6-3-11(18-13)4-7-14(16)17/h2-8H,1H3,(H2,16,17)/b7-4-.
What are the key properties of (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide?
(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide has a molecular weight of 306.16 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 124650754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).