(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one

C19H18ClFN2O2 — CID 93321473

IUPAC(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C19H18ClFN2O2/c1-12-5-3-4-6-15(12)19(25)22-9-10-23(18(24)13(22)2)14-7-8-17(21)16(20)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyOXBNKWJFIMCBCV-CYBMUJFWSA-N
MW360.82 g/mol
LogP3.67
Rot. Bonds2

About (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one

(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (PubChem CID 93321473) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
PubChem CID93321473
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C19H18ClFN2O2/c1-12-5-3-4-6-15(12)19(25)22-9-10-23(18(24)13(22)2)14-7-8-17(21)16(20)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyOXBNKWJFIMCBCV-CYBMUJFWSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (CID 93321473) is (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one is Cc1ccccc1C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The InChIKey is OXBNKWJFIMCBCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-12-5-3-4-6-15(12)19(25)22-9-10-23(18(24)13(22)2)14-7-8-17(21)16(20)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one has a molecular weight of 360.82 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).