2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide

C15H18ClFN2O — CID 119428601

IUPAC2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCNC1)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)19-9-3-2-6-18-8-9/h1,4-5,9-11,18H,2-3,6-8H2,(H,19,20)
InChIKeyRLOAKKJENXGFSA-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide

2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide (PubChem CID 119428601) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
PubChem CID119428601
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCNC1)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)19-9-3-2-6-18-8-9/h1,4-5,9-11,18H,2-3,6-8H2,(H,19,20)
InChIKeyRLOAKKJENXGFSA-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide (CID 119428601) is 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide is O=C(NC1CCCNC1)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide?
The InChIKey is RLOAKKJENXGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)19-9-3-2-6-18-8-9/h1,4-5,9-11,18H,2-3,6-8H2,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide has a molecular weight of 296.77 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119428601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).