[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C24H21Cl2FN2O2 — CID 71519328

IUPAC[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1)N1CCCC1
InChIInChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-15-16-6-7-19(26)14-21(16)27)17(12-18)13-20-4-3-5-22(28-20)24(30)29-10-1-2-11-29/h3-9,12,14H,1-2,10-11,13,15H2
InChIKeyZDUFQAJHKGKMQW-UHFFFAOYSA-N
MW459.35 g/mol
LogP5.93
Rot. Bonds6

About [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 71519328) has the molecular formula C24H21Cl2FN2O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID71519328
Molecular FormulaC24H21Cl2FN2O2
Molecular Weight459.35 g/mol
Exact Mass458.10
IUPAC Name[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1)N1CCCC1
InChIInChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-15-16-6-7-19(26)14-21(16)27)17(12-18)13-20-4-3-5-22(28-20)24(30)29-10-1-2-11-29/h3-9,12,14H,1-2,10-11,13,15H2
InChIKeyZDUFQAJHKGKMQW-UHFFFAOYSA-N
XLogP5.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 71519328) is [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1)N1CCCC1.
What is the InChIKey of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZDUFQAJHKGKMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-15-16-6-7-19(26)14-21(16)27)17(12-18)13-20-4-3-5-22(28-20)24(30)29-10-1-2-11-29/h3-9,12,14H,1-2,10-11,13,15H2.
What are the key properties of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 459.35 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71519328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).