1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H16ClFN4O — CID 118740284

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23)
InChIKeyCVRBBHQNQNVZFM-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.25
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740284) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740284
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23)
InChIKeyCVRBBHQNQNVZFM-UHFFFAOYSA-N
XLogP2.25
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740284) is 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CVRBBHQNQNVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).