2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

C27H27F2N3O2 — CID 129457763

IUPAC2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1
InChIInChI=1S/C27H27F2N3O2/c1-27(2,31-25(33)20-11-4-6-13-22(20)29)26(34)32-16-8-15-24(32)23-14-7-10-19(30-23)17-18-9-3-5-12-21(18)28/h3-7,9-14,24H,8,15-17H2,1-2H3,(H,31,33)/t24-/m1/s1
InChIKeyQUEICXOAARRRLQ-XMMPIXPASA-N
MW463.53 g/mol
LogP4.82
Rot. Bonds6

About 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 129457763) has the molecular formula C27H27F2N3O2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID129457763
Molecular FormulaC27H27F2N3O2
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1
InChIInChI=1S/C27H27F2N3O2/c1-27(2,31-25(33)20-11-4-6-13-22(20)29)26(34)32-16-8-15-24(32)23-14-7-10-19(30-23)17-18-9-3-5-12-21(18)28/h3-7,9-14,24H,8,15-17H2,1-2H3,(H,31,33)/t24-/m1/s1
InChIKeyQUEICXOAARRRLQ-XMMPIXPASA-N
XLogP4.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 155984483
2-[(2-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254376
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 124993229
1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone
CID 124990360
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131528
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (CID 129457763) is 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is QUEICXOAARRRLQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27F2N3O2/c1-27(2,31-25(33)20-11-4-6-13-22(20)29)26(34)32-16-8-15-24(32)23-14-7-10-19(30-23)17-18-9-3-5-12-21(18)28/h3-7,9-14,24H,8,15-17H2,1-2H3,(H,31,33)/t24-/m1/s1.
What are the key properties of 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 129457763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).