3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

C14H9BrN2O2 — CID 2866324

IUPAC3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(N)=O
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-9(2-4-11)13-6-5-12(19-13)7-10(8-16)14(17)18/h1-7H,(H2,17,18)
InChIKeyNESIEHUXIJACEI-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.10
Rot. Bonds3

About 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide (PubChem CID 2866324) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
PubChem CID2866324
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(N)=O
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-9(2-4-11)13-6-5-12(19-13)7-10(8-16)14(17)18/h1-7H,(H2,17,18)
InChIKeyNESIEHUXIJACEI-UHFFFAOYSA-N
XLogP3.10
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enethioamide
CID 772459
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N,N-diethylprop-2-enamide
CID 1050401
butyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 5292135
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126393568
(Z)-N-(4-bromophenyl)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enamide
CID 126028720
pyridin-1-ium-1-yl (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 22300232
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 1352213
(Z)-N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-methylprop-2-enamide
CID 34307396
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 2188253

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide (CID 2866324) is 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide is N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(N)=O.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide?
The InChIKey is NESIEHUXIJACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-3-1-9(2-4-11)13-6-5-12(19-13)7-10(8-16)14(17)18/h1-7H,(H2,17,18).
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide?
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide has a molecular weight of 317.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide is sourced from PubChem (CID 2866324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).