[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone

C25H21Cl2FN2O2 — CID 19329456

IUPAC[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C25H21Cl2FN2O2/c26-18-10-8-17(9-11-18)24(31)19-4-1-2-5-20(19)25(32)30-14-12-29(13-15-30)16-21-22(27)6-3-7-23(21)28/h1-11H,12-16H2
InChIKeyFLVIYVNHFATMDB-UHFFFAOYSA-N
MW471.36 g/mol
LogP5.32
Rot. Bonds5

About [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone

[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone (PubChem CID 19329456) has the molecular formula C25H21Cl2FN2O2 and a molecular weight of 471.36 g/mol. Its IUPAC name is [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
PubChem CID19329456
Molecular FormulaC25H21Cl2FN2O2
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C25H21Cl2FN2O2/c26-18-10-8-17(9-11-18)24(31)19-4-1-2-5-20(19)25(32)30-14-12-29(13-15-30)16-21-22(27)6-3-7-23(21)28/h1-11H,12-16H2
InChIKeyFLVIYVNHFATMDB-UHFFFAOYSA-N
XLogP5.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 155279283
N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46510071
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone (CID 19329456) is [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is FLVIYVNHFATMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN2O2/c26-18-10-8-17(9-11-18)24(31)19-4-1-2-5-20(19)25(32)30-14-12-29(13-15-30)16-21-22(27)6-3-7-23(21)28/h1-11H,12-16H2.
What are the key properties of [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone?
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 471.36 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 19329456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).