2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide

C15H20ClFN2O — CID 63636405

IUPAC2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(F)cccc1Cl)C1CCCNC1
InChIInChI=1S/C15H20ClFN2O/c1-2-9-19(11-5-4-8-18-10-11)15(20)14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyQCYSNDIFYJVLQL-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide

2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide (PubChem CID 63636405) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
PubChem CID63636405
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(F)cccc1Cl)C1CCCNC1
InChIInChI=1S/C15H20ClFN2O/c1-2-9-19(11-5-4-8-18-10-11)15(20)14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyQCYSNDIFYJVLQL-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide (CID 63636405) is 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide is CCCN(C(=O)c1c(F)cccc1Cl)C1CCCNC1.
What is the InChIKey of 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide?
The InChIKey is QCYSNDIFYJVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-2-9-19(11-5-4-8-18-10-11)15(20)14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide?
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide has a molecular weight of 298.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide is sourced from PubChem (CID 63636405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).