(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

C15H11BrN2O2 — CID 729756

IUPAC(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C15H11BrN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8+
InChIKeyDRFGDFGNXLVREU-DHZHZOJOSA-N
MW331.17 g/mol
LogP3.90
Rot. Bonds3

About (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 729756) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID729756
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C15H11BrN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8+
InChIKeyDRFGDFGNXLVREU-DHZHZOJOSA-N
XLogP3.90
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.90
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

(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 754985
(2E)-N-(3-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 729760
(2E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
CID 738823
(2E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738825
(2E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738836
2-Cyano-5-furan-2-yl-penta-2,4-dienoic acid (4-methoxy-phenyl)-amide
CID 775089
(E)-N-(3-Bromo-phenyl)-2-cyano-3-(5-piperidin-1-yl-furan-2-yl)-acrylamide
CID 1366257
(2Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 1877335
3-(5-bromo-2-furyl)-2-cyano-N-(4-methoxyphenyl)acrylamide
CID 2184164
N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 2214520

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (CID 729756) is (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1.
What is the InChIKey of (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is DRFGDFGNXLVREU-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8+.
What are the key properties of (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 331.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 729756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).