N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide

C20H16ClNO3 — CID 16651140

IUPACN-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
SMILESCOc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClNO3/c1-24-17-10-12-19(13-11-17)25-18-8-2-14(3-9-18)20(23)22-16-6-4-15(21)5-7-16/h2-13H,1H3,(H,22,23)
InChIKeyVBCCWLGKECDHHJ-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.39
Rot. Bonds5

About N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide

N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide (PubChem CID 16651140) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
PubChem CID16651140
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
SMILESCOc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClNO3/c1-24-17-10-12-19(13-11-17)25-18-8-2-14(3-9-18)20(23)22-16-6-4-15(21)5-7-16/h2-13H,1H3,(H,22,23)
InChIKeyVBCCWLGKECDHHJ-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide (CID 16651140) is N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide is COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The InChIKey is VBCCWLGKECDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-24-17-10-12-19(13-11-17)25-18-8-2-14(3-9-18)20(23)22-16-6-4-15(21)5-7-16/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide has a molecular weight of 353.81 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide is sourced from PubChem (CID 16651140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).