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

C20H17ClN2O2 — CID 2728308

IUPACN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-2-14-5-7-15(8-6-14)19(24)23-18-4-3-13-22-20(18)25-17-11-9-16(21)10-12-17/h3-13H,2H2,1H3,(H,23,24)
InChIKeyNBKUSWWMEQBTEE-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.34
Rot. Bonds5

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

N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide (PubChem CID 2728308) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide
PubChem CID2728308
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-2-14-5-7-15(8-6-14)19(24)23-18-4-3-13-22-20(18)25-17-11-9-16(21)10-12-17/h3-13H,2H2,1H3,(H,23,24)
InChIKeyNBKUSWWMEQBTEE-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.34
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-ethylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide (CID 2728308) is N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide?
The InChIKey is NBKUSWWMEQBTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-2-14-5-7-15(8-6-14)19(24)23-18-4-3-13-22-20(18)25-17-11-9-16(21)10-12-17/h3-13H,2H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide?
N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-ethylbenzamide has a molecular weight of 352.82 g/mol, XLogP of 5.34, 5 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-ethylbenzamide is sourced from PubChem (CID 2728308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).