[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone

C19H20Cl2N2O2 — CID 44570985

IUPAC[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-7-9-23(10-8-22)19(24)15-5-6-18(17(21)12-15)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDPKGOYHOLGRQHK-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.96
Rot. Bonds4

About [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 44570985) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID44570985
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-7-9-23(10-8-22)19(24)15-5-6-18(17(21)12-15)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDPKGOYHOLGRQHK-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327571
[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323630
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327369
(4-benzylpiperazin-1-yl)-[3-[(2-chlorophenoxy)methyl]phenyl]methanone
CID 19289215
[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4748215
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
CID 25195088
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone
CID 141168468
4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 108741099
methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone
CID 19323563

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 44570985) is [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1.
What is the InChIKey of [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DPKGOYHOLGRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-22-7-9-23(10-8-22)19(24)15-5-6-18(17(21)12-15)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 379.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 44570985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).