N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide

C14H14ClNO2 — CID 565664

IUPACN-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyKTSCRLVWGYIJDL-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.81
Rot. Bonds4

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

N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 565664) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID565664
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyKTSCRLVWGYIJDL-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 565664) is N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is KTSCRLVWGYIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 263.72 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 565664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).