[4'-(3-Chloropropoxy)[1,1'-biphenyl]-4-yl](pyrrolidin-1-yl)methanone

HCID 22994486

Notes Reactions

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Basic information

CAS: 372514-08-4
Standard SMILES: O=C(c1ccc(-c2ccc(OCCCCl)cc2)cc1)N1CCCC1
InChIKey: BUGAJOMIZYVOHJ-UHFFFAOYSA-N
Molecular formula: C20H22ClNO2
Average molar mass: 343.8 g/mol
Monoisotopic mass: 343.13390662

Names & identifiers

Preferred name: [4'-(3-Chloropropoxy)[1,1'-biphenyl]-4-yl](pyrrolidin-1-yl)methanone
IUPAC: [4-[4-(3-chloropropoxy)phenyl]phenyl]-pyrrolidin-1-ylmethanone

Names & synonyms

372514-08-4SCHEMBL5216263DTXSID30629425BUGAJOMIZYVOHJ-UHFFFAOYSA-N[4'-(3-Chloropropoxy)[1,1'-biphenyl]-4-yl](pyrrolidin-1-yl)methanone1{[4'-(3-chloropropoxy)[1,1'-biphenyl]-4-yl]carbonyl}pyrrolidine1-{[4'-(3-Chloropropoxy)[1,1'-biphenyl]-4-yl]carbonyl}pyrrolidine

Database identifiers

CAS: 372514-08-4
PubChem CID: 22994486
DTXSID: DTXSID30629425

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 381

Related reactions

11 records

New reaction record

HRID 429240As productuspto-grants-2001_11

HRID 429241As reactantuspto-grants-2001_11

HRID 429242As reactantuspto-grants-2001_11

HRID 429243As reactantuspto-grants-2001_11

HRID 805980As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 957825As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1057785As reactantuspto-grants-2003_02

HRID 1123126As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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