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

C13H9Cl2NO2 — CID 94034259

IUPAC(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(13(10)15)11-6-4-8(18-11)5-7-12(16)17/h1-7H,(H2,16,17)/b7-5-
InChIKeyXDQNMHOTGFYVBU-ALCCZGGFSA-N
MW282.13 g/mol
LogP3.75
Rot. Bonds3

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

(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 94034259) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID94034259
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(13(10)15)11-6-4-8(18-11)5-7-12(16)17/h1-7H,(H2,16,17)/b7-5-
InChIKeyXDQNMHOTGFYVBU-ALCCZGGFSA-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)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 4022305
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
CID 3507107
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
4-[5-[3-[5-(2,3-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 4710043
[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino] acetate
CID 91674094
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 6281613
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 3996402
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 94034259) is (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is NC(=O)/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is XDQNMHOTGFYVBU-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-3-1-2-9(13(10)15)11-6-4-8(18-11)5-7-12(16)17/h1-7H,(H2,16,17)/b7-5-.
What are the key properties of (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
(Z)-3-[5-(2,3-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 (Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 94034259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).