(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H11Cl2NO2 — CID 923459

IUPAC(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H11Cl2NO2/c1-9-2-3-13(19-9)4-5-14(18)17-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H,17,18)/b5-4+
InChIKeyZYBOKUUSSGSLIK-SNAWJCMRSA-N
MW296.15 g/mol
LogP4.55
Rot. Bonds3

About (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 923459) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID923459
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H11Cl2NO2/c1-9-2-3-13(19-9)4-5-14(18)17-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H,17,18)/b5-4+
InChIKeyZYBOKUUSSGSLIK-SNAWJCMRSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.55
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

N-[(3,5-dichlorophenyl)carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 3375069
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
methyl 4-chloro-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]benzoate
CID 53457544
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 923459) is (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is ZYBOKUUSSGSLIK-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-9-2-3-13(19-9)4-5-14(18)17-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H,17,18)/b5-4+.
What are the key properties of (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 296.15 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 923459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).