N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide

C19H15ClN2O2 — CID 2728314

IUPACN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-4-6-14(7-5-13)18(23)22-17-3-2-12-21-19(17)24-16-10-8-15(20)9-11-16/h2-12H,1H3,(H,22,23)
InChIKeyXWUNOJANYMPHFG-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.09
Rot. Bonds4

About N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide

N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide (PubChem CID 2728314) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide
PubChem CID2728314
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-4-6-14(7-5-13)18(23)22-17-3-2-12-21-19(17)24-16-10-8-15(20)9-11-16/h2-12H,1H3,(H,22,23)
InChIKeyXWUNOJANYMPHFG-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide (CID 2728314) is N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is XWUNOJANYMPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-4-6-14(7-5-13)18(23)22-17-3-2-12-21-19(17)24-16-10-8-15(20)9-11-16/h2-12H,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide?
N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 2728314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).