2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide

C16H14ClF2N3O — CID 71921906

IUPAC2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClF2N3O/c17-11-3-1-4-12(18)14(11)16(23)21-10-6-8-22(9-10)15-13(19)5-2-7-20-15/h1-5,7,10H,6,8-9H2,(H,21,23)
InChIKeyRAJIMXUQRVTRLE-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide

2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide (PubChem CID 71921906) has the molecular formula C16H14ClF2N3O and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
PubChem CID71921906
Molecular FormulaC16H14ClF2N3O
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClF2N3O/c17-11-3-1-4-12(18)14(11)16(23)21-10-6-8-22(9-10)15-13(19)5-2-7-20-15/h1-5,7,10H,6,8-9H2,(H,21,23)
InChIKeyRAJIMXUQRVTRLE-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide (CID 71921906) is 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2ncccc2F)C1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The InChIKey is RAJIMXUQRVTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O/c17-11-3-1-4-12(18)14(11)16(23)21-10-6-8-22(9-10)15-13(19)5-2-7-20-15/h1-5,7,10H,6,8-9H2,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide has a molecular weight of 337.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71921906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).