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

C14H13Cl2NO2 — CID 959186

IUPACN-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2NO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-4,6,8H,5,7H2,1H3,(H,17,18)
InChIKeyKUINEXZJMZOVMX-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.47
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 959186) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID959186
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC NameN-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2NO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-4,6,8H,5,7H2,1H3,(H,17,18)
InChIKeyKUINEXZJMZOVMX-UHFFFAOYSA-N
XLogP4.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 959186) is N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is KUINEXZJMZOVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-4,6,8H,5,7H2,1H3,(H,17,18).
What are the key properties of N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 298.17 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 959186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).