2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide

C18H13ClN2O2 — CID 806456

IUPAC2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H13ClN2O2/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-14(10-8-13)23-15-4-3-11-20-12-15/h1-12H,(H,21,22)
InChIKeyPZSZIQFZDVSLSU-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.78
Rot. Bonds4

About 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide

2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide (PubChem CID 806456) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide
PubChem CID806456
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H13ClN2O2/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-14(10-8-13)23-15-4-3-11-20-12-15/h1-12H,(H,21,22)
InChIKeyPZSZIQFZDVSLSU-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide (CID 806456) is 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is PZSZIQFZDVSLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-14(10-8-13)23-15-4-3-11-20-12-15/h1-12H,(H,21,22).
What are the key properties of 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide?
2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 324.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 806456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).