3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide

C16H15Cl2NO3 — CID 24505751

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)oc1C
InChIInChI=1S/C16H15Cl2NO3/c1-9(20)13-8-12(22-10(13)2)4-6-16(21)19-11-3-5-14(17)15(18)7-11/h3,5,7-8H,4,6H2,1-2H3,(H,19,21)
InChIKeyVXADZMHWBWMTQI-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.67
Rot. Bonds5

About 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 24505751) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide
PubChem CID24505751
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)oc1C
InChIInChI=1S/C16H15Cl2NO3/c1-9(20)13-8-12(22-10(13)2)4-6-16(21)19-11-3-5-14(17)15(18)7-11/h3,5,7-8H,4,6H2,1-2H3,(H,19,21)
InChIKeyVXADZMHWBWMTQI-UHFFFAOYSA-N
XLogP4.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetyl-5-methylfuran-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 34442879
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
[2-(3,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584847
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522722
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24505878
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide
CID 31284246

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide (CID 24505751) is 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide is CC(=O)c1cc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is VXADZMHWBWMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-9(20)13-8-12(22-10(13)2)4-6-16(21)19-11-3-5-14(17)15(18)7-11/h3,5,7-8H,4,6H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 340.21 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 24505751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).