[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone

C21H24ClFN2O — CID 126434019

IUPAC[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C
InChIInChI=1S/C21H24ClFN2O/c1-14(2)25-11-10-24(13-15(25)3)21(26)17-6-4-16(5-7-17)19-12-18(22)8-9-20(19)23/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyMPXWOAZCMKXUFC-OAHLLOKOSA-N
MW374.89 g/mol
LogP4.70
Rot. Bonds3

About [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone

[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 126434019) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID126434019
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C
InChIInChI=1S/C21H24ClFN2O/c1-14(2)25-11-10-24(13-15(25)3)21(26)17-6-4-16(5-7-17)19-12-18(22)8-9-20(19)23/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyMPXWOAZCMKXUFC-OAHLLOKOSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125016909
[4-(4-chloroanilino)cyclohexyl]-(3-methyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 68596517
[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
CID 155267687
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 121497504
[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 174339665
(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile
CID 126437659
[4-(4-chloro-2-fluorophenyl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118621704
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
[(3S)-4-(4-iodobenzoyl)-3-methylpiperazin-1-yl]-(4-iodophenyl)methanone
CID 98089596

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 126434019) is [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone is CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C.
What is the InChIKey of [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is MPXWOAZCMKXUFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-14(2)25-11-10-24(13-15(25)3)21(26)17-6-4-16(5-7-17)19-12-18(22)8-9-20(19)23/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone?
[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 374.89 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 126434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).