[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C23H21ClN2O — CID 110254415

IUPAC[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C23H21ClN2O/c24-20-12-5-4-10-18(20)16-19-11-6-13-21(25-19)22-14-7-15-26(22)23(27)17-8-2-1-3-9-17/h1-6,8-13,22H,7,14-16H2
InChIKeyUOUDANGLQVUUAG-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.30
Rot. Bonds4

About [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110254415) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID110254415
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C23H21ClN2O/c24-20-12-5-4-10-18(20)16-19-11-6-13-21(25-19)22-14-7-15-26(22)23(27)17-8-2-1-3-9-17/h1-6,8-13,22H,7,14-16H2
InChIKeyUOUDANGLQVUUAG-UHFFFAOYSA-N
XLogP5.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110254527
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95818332
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 110254579
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 155984483

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 110254415) is [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1.
What is the InChIKey of [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is UOUDANGLQVUUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-20-12-5-4-10-18(20)16-19-11-6-13-21(25-19)22-14-7-15-26(22)23(27)17-8-2-1-3-9-17/h1-6,8-13,22H,7,14-16H2.
What are the key properties of [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 376.89 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110254415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).