3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide

C19H19ClN2O2 — CID 123491340

IUPAC3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC23CNC(CO2)C3)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-15-3-1-2-14(8-15)18(23)22-16-6-4-13(5-7-16)9-19-10-17(11-24-19)21-12-19/h1-8,17,21H,9-12H2,(H,22,23)
InChIKeySSKJQTDEBBJACF-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.27
Rot. Bonds4

About 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide

3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide (PubChem CID 123491340) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide
PubChem CID123491340
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC23CNC(CO2)C3)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-15-3-1-2-14(8-15)18(23)22-16-6-4-13(5-7-16)9-19-10-17(11-24-19)21-12-19/h1-8,17,21H,9-12H2,(H,22,23)
InChIKeySSKJQTDEBBJACF-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[(5,6-dimethyloxan-3-yl)methyl]phenyl]benzamide
CID 91585466
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CID 145006160
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
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3-chloro-N-(4-methylphenyl)benzamide
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3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide
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3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
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3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
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3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
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3-chloro-N-pyridin-4-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide (CID 123491340) is 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CC23CNC(CO2)C3)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide?
The InChIKey is SSKJQTDEBBJACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-3-1-2-14(8-15)18(23)22-16-6-4-13(5-7-16)9-19-10-17(11-24-19)21-12-19/h1-8,17,21H,9-12H2,(H,22,23).
What are the key properties of 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide?
3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 123491340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).