N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide

C21H18ClNO2 — CID 4951707

IUPACN-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO2/c1-15(21(24)23-19-11-9-18(22)10-12-19)25-20-13-7-17(8-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,24)
InChIKeyZPKNMZAFLNWMDU-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.41
Rot. Bonds5

About N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide

N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 4951707) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID4951707
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO2/c1-15(21(24)23-19-11-9-18(22)10-12-19)25-20-13-7-17(8-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,24)
InChIKeyZPKNMZAFLNWMDU-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide (CID 4951707) is N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is ZPKNMZAFLNWMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-15(21(24)23-19-11-9-18(22)10-12-19)25-20-13-7-17(8-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide?
N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 351.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 4951707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).