5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C20H25ClFN3O — CID 164626739

IUPAC5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(-c3ccc(Cl)c(F)c3)[nH]2)CC(C)(C)N1
InChIInChI=1S/C20H25ClFN3O/c1-19(2)10-13(11-20(3,4)25-19)23-18(26)17-8-7-16(24-17)12-5-6-14(21)15(22)9-12/h5-9,13,24-25H,10-11H2,1-4H3,(H,23,26)
InChIKeyIADRGJIRRALHRV-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.51
Rot. Bonds3

About 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 164626739) has the molecular formula C20H25ClFN3O and a molecular weight of 377.89 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID164626739
Molecular FormulaC20H25ClFN3O
Molecular Weight377.89 g/mol
Exact Mass377.17
IUPAC Name5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(-c3ccc(Cl)c(F)c3)[nH]2)CC(C)(C)N1
InChIInChI=1S/C20H25ClFN3O/c1-19(2)10-13(11-20(3,4)25-19)23-18(26)17-8-7-16(24-17)12-5-6-14(21)15(22)9-12/h5-9,13,24-25H,10-11H2,1-4H3,(H,23,26)
InChIKeyIADRGJIRRALHRV-UHFFFAOYSA-N
XLogP4.51
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.51
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-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 164626739) is 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is CC1(C)CC(NC(=O)c2ccc(-c3ccc(Cl)c(F)c3)[nH]2)CC(C)(C)N1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is IADRGJIRRALHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O/c1-19(2)10-13(11-20(3,4)25-19)23-18(26)17-8-7-16(24-17)12-5-6-14(21)15(22)9-12/h5-9,13,24-25H,10-11H2,1-4H3,(H,23,26).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 377.89 g/mol, XLogP of 4.51, 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-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164626739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).