N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide

C18H16ClNO2 — CID 53237904

IUPACN-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C18H16ClNO2/c1-11(2)18(21)20-15-7-8-16-13(9-15)10-17(22-16)12-3-5-14(19)6-4-12/h3-11H,1-2H3,(H,20,21)
InChIKeyMQPLRDRTSMNCPZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP5.35
Rot. Bonds3

About N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide

N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide (PubChem CID 53237904) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide
PubChem CID53237904
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C18H16ClNO2/c1-11(2)18(21)20-15-7-8-16-13(9-15)10-17(22-16)12-3-5-14(19)6-4-12/h3-11H,1-2H3,(H,20,21)
InChIKeyMQPLRDRTSMNCPZ-UHFFFAOYSA-N
XLogP5.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide (CID 53237904) is N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide?
The InChIKey is MQPLRDRTSMNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11(2)18(21)20-15-7-8-16-13(9-15)10-17(22-16)12-3-5-14(19)6-4-12/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide has a molecular weight of 313.78 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide is sourced from PubChem (CID 53237904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).