N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide

C20H16ClNO3 — CID 3638340

IUPACN-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C20H16ClNO3/c1-24-19-4-2-3-14(13-19)20(23)22-16-7-11-18(12-8-16)25-17-9-5-15(21)6-10-17/h2-13H,1H3,(H,22,23)
InChIKeyQMKQEANSYRCSJR-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.39
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide

N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide (PubChem CID 3638340) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide
PubChem CID3638340
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C20H16ClNO3/c1-24-19-4-2-3-14(13-19)20(23)22-16-7-11-18(12-8-16)25-17-9-5-15(21)6-10-17/h2-13H,1H3,(H,22,23)
InChIKeyQMKQEANSYRCSJR-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-(4-chlorophenoxy)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide (CID 3638340) is N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide?
The InChIKey is QMKQEANSYRCSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-24-19-4-2-3-14(13-19)20(23)22-16-7-11-18(12-8-16)25-17-9-5-15(21)6-10-17/h2-13H,1H3,(H,22,23).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide?
N-[4-(4-chlorophenoxy)phenyl]-3-methoxybenzamide 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-(4-chlorophenoxy)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 3638340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).