[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone

C21H21Cl2FN2O — CID 19329378

IUPAC[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H21Cl2FN2O/c22-15-6-4-14(5-7-15)16-12-17(16)21(27)26-10-8-25(9-11-26)13-18-19(23)2-1-3-20(18)24/h1-7,16-17H,8-13H2
InChIKeyGYDCQXIWJZIEBC-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.58
Rot. Bonds4

About [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone (PubChem CID 19329378) has the molecular formula C21H21Cl2FN2O and a molecular weight of 407.32 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
PubChem CID19329378
Molecular FormulaC21H21Cl2FN2O
Molecular Weight407.32 g/mol
Exact Mass406.10
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H21Cl2FN2O/c22-15-6-4-14(5-7-15)16-12-17(16)21(27)26-10-8-25(9-11-26)13-18-19(23)2-1-3-20(18)24/h1-7,16-17H,8-13H2
InChIKeyGYDCQXIWJZIEBC-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 78788936
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294877
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297403
(3-aminocyclopentyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119832897
trans-(1R,2R)-N-[3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propyl]-2-phenylcyclopropane-1-carboxamide
CID 11597917
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone (CID 19329378) is [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone is O=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone?
The InChIKey is GYDCQXIWJZIEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O/c22-15-6-4-14(5-7-15)16-12-17(16)21(27)26-10-8-25(9-11-26)13-18-19(23)2-1-3-20(18)24/h1-7,16-17H,8-13H2.
What are the key properties of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone?
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone has a molecular weight of 407.32 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 19329378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).