[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone

C19H20Cl2N2O — CID 121497504

IUPAC[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCN1
InChIInChI=1S/C19H20Cl2N2O/c1-2-16-12-23(10-9-22-16)19(24)14-5-3-13(4-6-14)17-8-7-15(20)11-18(17)21/h3-8,11,16,22H,2,9-10,12H2,1H3
InChIKeyBLUYLDDFSBIGCR-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.48
Rot. Bonds3

About [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone

[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone (PubChem CID 121497504) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
PubChem CID121497504
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCN1
InChIInChI=1S/C19H20Cl2N2O/c1-2-16-12-23(10-9-22-16)19(24)14-5-3-13(4-6-14)17-8-7-15(20)11-18(17)21/h3-8,11,16,22H,2,9-10,12H2,1H3
InChIKeyBLUYLDDFSBIGCR-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methylphenyl)-[(3S)-3-ethylpiperazin-1-yl]methanone
CID 95210383
[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
CID 155267687
[(3S)-3-benzylpiperazin-1-yl]-(4-chlorophenyl)methanone;[(3S)-3-benzylpiperazin-1-yl]-[4-(2,3-dichlorophenyl)phenyl]methanone;(2,3-dichlorophenyl)boronic acid;methane
CID 158261334
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772
(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
CID 119058466
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide
CID 142946389
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
CID 65317407

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone (CID 121497504) is [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCN1.
What is the InChIKey of [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone?
The InChIKey is BLUYLDDFSBIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-2-16-12-23(10-9-22-16)19(24)14-5-3-13(4-6-14)17-8-7-15(20)11-18(17)21/h3-8,11,16,22H,2,9-10,12H2,1H3.
What are the key properties of [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone?
[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone has a molecular weight of 363.29 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 121497504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).