1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one

C15H13Cl2NO2 — CID 1481405

IUPAC1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H13Cl2NO2/c1-18(2)8-7-13(19)15-6-5-14(20-15)11-4-3-10(16)9-12(11)17/h3-9H,1-2H3
InChIKeyMATDNLPOOICNFI-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.51
Rot. Bonds4

About 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one

1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 1481405) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID1481405
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H13Cl2NO2/c1-18(2)8-7-13(19)15-6-5-14(20-15)11-4-3-10(16)9-12(11)17/h3-9H,1-2H3
InChIKeyMATDNLPOOICNFI-UHFFFAOYSA-N
XLogP4.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
CID 1481406
1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
CID 2805849
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
1-(4-chloro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 72789848
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
CID 3764379
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
dimethyl 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 24780934
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 4014112
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one (CID 1481405) is 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)C=CC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is MATDNLPOOICNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-18(2)8-7-13(19)15-6-5-14(20-15)11-4-3-10(16)9-12(11)17/h3-9H,1-2H3.
What are the key properties of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one?
1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 310.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 1481405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).