(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide

C19H14BrNO2 — CID 1352340

IUPAC(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1
InChIInChI=1S/C19H14BrNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h1-13H,(H,21,22)/b13-11+
InChIKeyYFXHOQNZGIMNDR-ACCUITESSA-N
MW368.23 g/mol
LogP5.36
Rot. Bonds4

About (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide

(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide (PubChem CID 1352340) has the molecular formula C19H14BrNO2 and a molecular weight of 368.23 g/mol. Its IUPAC name is (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
PubChem CID1352340
Molecular FormulaC19H14BrNO2
Molecular Weight368.23 g/mol
Exact Mass367.02
IUPAC Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1
InChIInChI=1S/C19H14BrNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h1-13H,(H,21,22)/b13-11+
InChIKeyYFXHOQNZGIMNDR-ACCUITESSA-N
XLogP5.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.23
LogP ≤ 55.36
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

N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
CID 1188722
N-[(4-bromophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3904939
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(2-ethenyltetrazol-5-yl)prop-2-enamide
CID 17162738
N-[2-(4-bromophenyl)benzotriazol-5-yl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4163675
(1E)-1-[5-(4-bromophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1352039
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
(E)-N-[3-benzoyl-4-[[2-(4-bromophenyl)acetyl]amino]phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 10211664
(E)-N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274464
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274686
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide (CID 1352340) is (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1.
What is the InChIKey of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide?
The InChIKey is YFXHOQNZGIMNDR-ACCUITESSA-N. The full InChI is InChI=1S/C19H14BrNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h1-13H,(H,21,22)/b13-11+.
What are the key properties of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide?
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide has a molecular weight of 368.23 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 1352340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).