N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide

C17H17ClN2O2 — CID 175840998

IUPACN-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide
SMILESO=C(c1ccccc1)N(c1ncccc1Cl)C1CCCOC1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-4-10-19-16(15)20(14-8-5-11-22-12-14)17(21)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2
InChIKeyPNABJBSZYCLPMW-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.56
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide

N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide (PubChem CID 175840998) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide
PubChem CID175840998
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide
SMILESO=C(c1ccccc1)N(c1ncccc1Cl)C1CCCOC1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-4-10-19-16(15)20(14-8-5-11-22-12-14)17(21)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2
InChIKeyPNABJBSZYCLPMW-UHFFFAOYSA-N
XLogP3.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide (CID 175840998) is N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide is O=C(c1ccccc1)N(c1ncccc1Cl)C1CCCOC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide?
The InChIKey is PNABJBSZYCLPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-9-4-10-19-16(15)20(14-8-5-11-22-12-14)17(21)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2.
What are the key properties of N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide?
N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 175840998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).