N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide

C15H14BrNO2 — CID 880816

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H14BrNO2/c1-10-8-12(16)9-11(2)15(10)17-14(18)6-5-13-4-3-7-19-13/h3-9H,1-2H3,(H,17,18)
InChIKeyUDWSALCRGBKJPK-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.31
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide

N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 880816) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID880816
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H14BrNO2/c1-10-8-12(16)9-11(2)15(10)17-14(18)6-5-13-4-3-7-19-13/h3-9H,1-2H3,(H,17,18)
InChIKeyUDWSALCRGBKJPK-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.31
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

(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
(E)-N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 1345270
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2673717
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4505545
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
CID 113231012
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 880816) is N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide is Cc1cc(Br)cc(C)c1NC(=O)C=Cc1ccco1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UDWSALCRGBKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-8-12(16)9-11(2)15(10)17-14(18)6-5-13-4-3-7-19-13/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 320.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 880816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).