(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H16ClNO2 — CID 895944

IUPAC(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClNO2/c1-12-5-6-15(20-12)7-8-16(19)18-10-9-13-3-2-4-14(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19)/b8-7+
InChIKeyFWPOFDKZTCYHHQ-BQYQJAHWSA-N
MW289.76 g/mol
LogP3.61
Rot. Bonds5

About (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 895944) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID895944
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClNO2/c1-12-5-6-15(20-12)7-8-16(19)18-10-9-13-3-2-4-14(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19)/b8-7+
InChIKeyFWPOFDKZTCYHHQ-BQYQJAHWSA-N
XLogP3.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 895944) is (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCc2cccc(Cl)c2)o1.
What is the InChIKey of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is FWPOFDKZTCYHHQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-5-6-15(20-12)7-8-16(19)18-10-9-13-3-2-4-14(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19)/b8-7+.
What are the key properties of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 289.76 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-chlorophenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 895944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).