2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide

C21H22Cl2FN3O4 — CID 34822497

IUPAC2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H22Cl2FN3O4/c1-30-18-9-14(8-17(23)20(18)31-12-19(25)28)21(29)27-6-4-26(5-7-27)11-13-2-3-15(24)10-16(13)22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,25,28)
InChIKeyHUBSUPWEPIURCN-UHFFFAOYSA-N
MW470.33 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide (PubChem CID 34822497) has the molecular formula C21H22Cl2FN3O4 and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
PubChem CID34822497
Molecular FormulaC21H22Cl2FN3O4
Molecular Weight470.33 g/mol
Exact Mass469.10
IUPAC Name2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H22Cl2FN3O4/c1-30-18-9-14(8-17(23)20(18)31-12-19(25)28)21(29)27-6-4-26(5-7-27)11-13-2-3-15(24)10-16(13)22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,25,28)
InChIKeyHUBSUPWEPIURCN-UHFFFAOYSA-N
XLogP2.96
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
2-[2-chloro-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxyphenoxy]acetamide
CID 86954629
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 34820040
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16601253
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 55671413
1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 55655794
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256331
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide (CID 34822497) is 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide?
The InChIKey is HUBSUPWEPIURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2FN3O4/c1-30-18-9-14(8-17(23)20(18)31-12-19(25)28)21(29)27-6-4-26(5-7-27)11-13-2-3-15(24)10-16(13)22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,25,28).
What are the key properties of 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide has a molecular weight of 470.33 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 34822497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).