(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide

C13H9Cl2NO2 — CID 790279

IUPAC(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyQRNCZTQIMJCVRU-GQCTYLIASA-N
MW282.13 g/mol
LogP4.24
Rot. Bonds3

About (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 790279) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID790279
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyQRNCZTQIMJCVRU-GQCTYLIASA-N
XLogP4.24
TPSA42.24 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 ≤ 54.24
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-(4-chlorophenyl)furan-2-carboxamide
CID 790315
N-(3-chlorophenyl)furan-2-carboxamide
CID 282652
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(2,6-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 897861
N-(4-amino-2-chlorophenyl)furan-2-carboxamide
CID 721121
4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 669402
N-(2,5-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 882763
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
(2E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738825
N-(4-fluorophenyl)-3-(2-furyl)acrylamide
CID 695778
(2E)-N-[4-(4-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 881467

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide (CID 790279) is (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is QRNCZTQIMJCVRU-GQCTYLIASA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+.
What are the key properties of (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 282.13 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 790279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).