N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide

C18H14ClN3O2 — CID 811100

IUPACN-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
SMILESNc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H14ClN3O2/c19-13-4-1-3-12(7-13)18(23)22-15-8-14(20)9-17(10-15)24-16-5-2-6-21-11-16/h1-11H,20H2,(H,22,23)
InChIKeyHMXKIYPXDUHHDA-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.36
Rot. Bonds4

About N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide

N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide (PubChem CID 811100) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
PubChem CID811100
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
SMILESNc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H14ClN3O2/c19-13-4-1-3-12(7-13)18(23)22-15-8-14(20)9-17(10-15)24-16-5-2-6-21-11-16/h1-11H,20H2,(H,22,23)
InChIKeyHMXKIYPXDUHHDA-UHFFFAOYSA-N
XLogP4.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide?
The IUPAC name of N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide (CID 811100) is N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide is Nc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1.
What is the InChIKey of N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide?
The InChIKey is HMXKIYPXDUHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-13-4-1-3-12(7-13)18(23)22-15-8-14(20)9-17(10-15)24-16-5-2-6-21-11-16/h1-11H,20H2,(H,22,23).
What are the key properties of N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide?
N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide has a molecular weight of 339.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide is sourced from PubChem (CID 811100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).