5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

C16H17ClFN3O — CID 164620442

IUPAC5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C16H17ClFN3O/c17-12-2-1-10(9-13(12)18)14-3-4-15(21-14)16(22)20-11-5-7-19-8-6-11/h1-4,9,11,19,21H,5-8H2,(H,20,22)
InChIKeyXLYOHELABQVCEL-UHFFFAOYSA-N
MW321.78 g/mol
LogP2.96
Rot. Bonds3

About 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 164620442) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID164620442
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C16H17ClFN3O/c17-12-2-1-10(9-13(12)18)14-3-4-15(21-14)16(22)20-11-5-7-19-8-6-11/h1-4,9,11,19,21H,5-8H2,(H,20,22)
InChIKeyXLYOHELABQVCEL-UHFFFAOYSA-N
XLogP2.96
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 164620442) is 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is O=C(NC1CCNCC1)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is XLYOHELABQVCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-12-2-1-10(9-13(12)18)14-3-4-15(21-14)16(22)20-11-5-7-19-8-6-11/h1-4,9,11,19,21H,5-8H2,(H,20,22).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 321.78 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164620442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).