(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide

C19H14ClNO3 — CID 881467

IUPAC(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClNO3/c20-14-3-7-17(8-4-14)24-18-9-5-15(6-10-18)21-19(22)12-11-16-2-1-13-23-16/h1-13H,(H,21,22)/b12-11+
InChIKeyIQMRWQPRSCLOTD-VAWYXSNFSA-N
MW339.78 g/mol
LogP5.38
Rot. Bonds5

About (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 881467) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID881467
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClNO3/c20-14-3-7-17(8-4-14)24-18-9-5-15(6-10-18)21-19(22)12-11-16-2-1-13-23-16/h1-13H,(H,21,22)/b12-11+
InChIKeyIQMRWQPRSCLOTD-VAWYXSNFSA-N
XLogP5.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.78
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 881467) is (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is IQMRWQPRSCLOTD-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-14-3-7-17(8-4-14)24-18-9-5-15(6-10-18)21-19(22)12-11-16-2-1-13-23-16/h1-13H,(H,21,22)/b12-11+.
What are the key properties of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 339.78 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 881467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).