(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide

C15H14ClNO2 — CID 7710923

IUPAC(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C15H14ClNO2/c1-2-11-7-8-12(19-11)9-10-15(18)17-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H,17,18)/b10-9+
InChIKeyRUWFKGZDZALOHQ-MDZDMXLPSA-N
MW275.74 g/mol
LogP4.15
Rot. Bonds4

About (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide

(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide (PubChem CID 7710923) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
PubChem CID7710923
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C15H14ClNO2/c1-2-11-7-8-12(19-11)9-10-15(18)17-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H,17,18)/b10-9+
InChIKeyRUWFKGZDZALOHQ-MDZDMXLPSA-N
XLogP4.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.15
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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Related Compounds

(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
CID 45051055
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
methyl 3-[5-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]propanoate
CID 9074458
(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 91649052
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,3-dichlorophenyl)prop-2-enamide
CID 6303145
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17335729
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide (CID 7710923) is (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccccc2Cl)o1.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The InChIKey is RUWFKGZDZALOHQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-11-7-8-12(19-11)9-10-15(18)17-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 7710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).