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

C19H14ClNO3 — CID 26764102

IUPAC(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C19H14ClNO3/c20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21-19(22)12-11-14-6-5-13-23-14/h1-13H,(H,21,22)/b12-11+
InChIKeyQFEZZMVHZHYLPJ-VAWYXSNFSA-N
MW339.78 g/mol
LogP5.38
Rot. Bonds5

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

(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 26764102) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID26764102
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C19H14ClNO3/c20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21-19(22)12-11-14-6-5-13-23-14/h1-13H,(H,21,22)/b12-11+
InChIKeyQFEZZMVHZHYLPJ-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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Related Compounds

(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
CID 77004994
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 26764102) is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is QFEZZMVHZHYLPJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21-19(22)12-11-14-6-5-13-23-14/h1-13H,(H,21,22)/b12-11+.
What are the key properties of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(2-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-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 26764102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).