(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one

C19H14ClNO3 — CID 2196420

IUPAC(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccco1
InChIInChI=1S/C19H14ClNO3/c20-16-4-1-2-5-18(16)24-15-9-7-14(8-10-15)21-12-11-17(22)19-6-3-13-23-19/h1-13,21H/b12-11+
InChIKeyNJHQTYOAJCZSOQ-VAWYXSNFSA-N
MW339.78 g/mol
LogP5.53
Rot. Bonds6

About (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one

(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 2196420) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one
PubChem CID2196420
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccco1
InChIInChI=1S/C19H14ClNO3/c20-16-4-1-2-5-18(16)24-15-9-7-14(8-10-15)21-12-11-17(22)19-6-3-13-23-19/h1-13,21H/b12-11+
InChIKeyNJHQTYOAJCZSOQ-VAWYXSNFSA-N
XLogP5.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.78
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one (CID 2196420) is (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccco1.
What is the InChIKey of (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is NJHQTYOAJCZSOQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-16-4-1-2-5-18(16)24-15-9-7-14(8-10-15)21-12-11-17(22)19-6-3-13-23-19/h1-13,21H/b12-11+.
What are the key properties of (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one?
(E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 339.78 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-chlorophenoxy)anilino]-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 2196420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).