(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide

C13H9Cl2NO2 — CID 28665530

IUPAC(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H9Cl2NO2/c14-9-5-8(6-10(15)7-9)12-3-1-11(18-12)2-4-13(16)17/h1-7H,(H2,16,17)/b4-2+
InChIKeyOOCDBPCZWQPKJV-DUXPYHPUSA-N
MW282.13 g/mol
LogP3.75
Rot. Bonds3

About (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide

(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 28665530) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID28665530
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H9Cl2NO2/c14-9-5-8(6-10(15)7-9)12-3-1-11(18-12)2-4-13(16)17/h1-7H,(H2,16,17)/b4-2+
InChIKeyOOCDBPCZWQPKJV-DUXPYHPUSA-N
XLogP3.75
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.75
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-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
dimethyl 5-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 17117500
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 22778031
(E)-N-(2-chloro-5-nitrophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780766
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
2-chloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17117694
ethyl 3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
CID 17066448

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 28665530) is (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is OOCDBPCZWQPKJV-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-5-8(6-10(15)7-9)12-3-1-11(18-12)2-4-13(16)17/h1-7H,(H2,16,17)/b4-2+.
What are the key properties of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 282.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 28665530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).