[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C19H20ClFN2O2 — CID 86852812

IUPAC[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-10-14(21)4-3-13(17)12-22-5-7-23(8-6-22)19(24)16-11-15(16)18-2-1-9-25-18/h1-4,9-10,15-16H,5-8,11-12H2
InChIKeyYSWRAKYIOIAPIR-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.52
Rot. Bonds4

About [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 86852812) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID86852812
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-10-14(21)4-3-13(17)12-22-5-7-23(8-6-22)19(24)16-11-15(16)18-2-1-9-25-18/h1-4,9-10,15-16H,5-8,11-12H2
InChIKeyYSWRAKYIOIAPIR-UHFFFAOYSA-N
XLogP3.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 120798360
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95588558
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
N-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 34820631
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 42923947
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294877

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 86852812) is [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is O=C(C1CC1c1ccco1)N1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is YSWRAKYIOIAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-17-10-14(21)4-3-13(17)12-22-5-7-23(8-6-22)19(24)16-11-15(16)18-2-1-9-25-18/h1-4,9-10,15-16H,5-8,11-12H2.
What are the key properties of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 362.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 86852812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).