2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide

C18H24ClFN2O2 — CID 71836759

IUPAC2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCC(N(CC2CCOC2)C(=O)c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O2/c1-21-7-4-15(5-8-21)22(11-13-6-9-24-12-13)18(23)16-10-14(20)2-3-17(16)19/h2-3,10,13,15H,4-9,11-12H2,1H3
InChIKeyHXRIKPQHCLNZJC-UHFFFAOYSA-N
MW354.85 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide

2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 71836759) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
PubChem CID71836759
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCC(N(CC2CCOC2)C(=O)c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O2/c1-21-7-4-15(5-8-21)22(11-13-6-9-24-12-13)18(23)16-10-14(20)2-3-17(16)19/h2-3,10,13,15H,4-9,11-12H2,1H3
InChIKeyHXRIKPQHCLNZJC-UHFFFAOYSA-N
XLogP3.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide (CID 71836759) is 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide is CN1CCC(N(CC2CCOC2)C(=O)c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is HXRIKPQHCLNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c1-21-7-4-15(5-8-21)22(11-13-6-9-24-12-13)18(23)16-10-14(20)2-3-17(16)19/h2-3,10,13,15H,4-9,11-12H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 354.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 71836759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).