(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone

C19H16ClF3N2O3 — CID 55548039

IUPAC(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H16ClF3N2O3/c20-15-11-12(21)5-6-13(15)17(26)24-7-9-25(10-8-24)18(27)14-3-1-2-4-16(14)28-19(22)23/h1-6,11,19H,7-10H2
InChIKeyLQFBDWXVCHIHGI-UHFFFAOYSA-N
MW412.80 g/mol
LogP3.68
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone (PubChem CID 55548039) has the molecular formula C19H16ClF3N2O3 and a molecular weight of 412.80 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
PubChem CID55548039
Molecular FormulaC19H16ClF3N2O3
Molecular Weight412.80 g/mol
Exact Mass412.08
IUPAC Name(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H16ClF3N2O3/c20-15-11-12(21)5-6-13(15)17(26)24-7-9-25(10-8-24)18(27)14-3-1-2-4-16(14)28-19(22)23/h1-6,11,19H,7-10H2
InChIKeyLQFBDWXVCHIHGI-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19290962
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 46443133
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
2-(4-chloro-2-fluorophenyl)-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-hydroxyethanone
CID 139008834
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone (CID 55548039) is (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone?
The InChIKey is LQFBDWXVCHIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O3/c20-15-11-12(21)5-6-13(15)17(26)24-7-9-25(10-8-24)18(27)14-3-1-2-4-16(14)28-19(22)23/h1-6,11,19H,7-10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone has a molecular weight of 412.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55548039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).