5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide

C15H13Cl2NO2 — CID 7464366

IUPAC5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cc(Cl)ccc2Cl)oc1C
InChIInChI=1S/C15H13Cl2NO2/c1-3-6-18-15(19)11-8-14(20-9(11)2)12-7-10(16)4-5-13(12)17/h3-5,7-8H,1,6H2,2H3,(H,18,19)
InChIKeyZVKVSCRWEADPKE-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.48
Rot. Bonds4

About 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide

5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide (PubChem CID 7464366) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide
PubChem CID7464366
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cc(Cl)ccc2Cl)oc1C
InChIInChI=1S/C15H13Cl2NO2/c1-3-6-18-15(19)11-8-14(20-9(11)2)12-7-10(16)4-5-13(12)17/h3-5,7-8H,1,6H2,2H3,(H,18,19)
InChIKeyZVKVSCRWEADPKE-UHFFFAOYSA-N
XLogP4.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
CID 6491179
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
CID 108941338
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
2-chloro-5-nitro-N-prop-2-enylbenzamide
CID 2390073
4-methyl-3-(prop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 61292327
N-(2,4-dichlorophenyl)-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809187
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide (CID 7464366) is 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide is C=CCNC(=O)c1cc(-c2cc(Cl)ccc2Cl)oc1C.
What is the InChIKey of 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide?
The InChIKey is ZVKVSCRWEADPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-3-6-18-15(19)11-8-14(20-9(11)2)12-7-10(16)4-5-13(12)17/h3-5,7-8H,1,6H2,2H3,(H,18,19).
What are the key properties of 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide?
5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-2-methyl-N-prop-2-enylfuran-3-carboxamide is sourced from PubChem (CID 7464366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).