3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide

C21H17Cl2NO4 — CID 5014101

IUPAC3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1
InChIInChI=1S/C21H17Cl2NO4/c1-26-15-4-8-18(20(12-15)27-2)24-21(25)10-6-14-5-9-19(28-14)16-7-3-13(22)11-17(16)23/h3-12H,1-2H3,(H,24,25)
InChIKeyWHSPSOFIXHBYRT-UHFFFAOYSA-N
MW418.28 g/mol
LogP5.92
Rot. Bonds6

About 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide

3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 5014101) has the molecular formula C21H17Cl2NO4 and a molecular weight of 418.28 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID5014101
Molecular FormulaC21H17Cl2NO4
Molecular Weight418.28 g/mol
Exact Mass417.05
IUPAC Name3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1
InChIInChI=1S/C21H17Cl2NO4/c1-26-15-4-8-18(20(12-15)27-2)24-21(25)10-6-14-5-9-19(28-14)16-7-3-13(22)11-17(16)23/h3-12H,1-2H3,(H,24,25)
InChIKeyWHSPSOFIXHBYRT-UHFFFAOYSA-N
XLogP5.92
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.28
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 6247958
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 19630743
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 3646960
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 3275053
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
CID 17163080
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 19630742
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 4312319
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686358

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide (CID 5014101) is 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is WHSPSOFIXHBYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO4/c1-26-15-4-8-18(20(12-15)27-2)24-21(25)10-6-14-5-9-19(28-14)16-7-3-13(22)11-17(16)23/h3-12H,1-2H3,(H,24,25).
What are the key properties of 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide?
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 418.28 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5014101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).