4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide

C22H25Cl2N3O3 — CID 108741099

IUPAC4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O3/c1-26-10-12-27(13-11-26)22(29)16-4-7-18(8-5-16)25-21(28)3-2-14-30-20-9-6-17(23)15-19(20)24/h4-9,15H,2-3,10-14H2,1H3,(H,25,28)
InChIKeyZTEGWYDIAOQUIF-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.18
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide (PubChem CID 108741099) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
PubChem CID108741099
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O3/c1-26-10-12-27(13-11-26)22(29)16-4-7-18(8-5-16)25-21(28)3-2-14-30-20-9-6-17(23)15-19(20)24/h4-9,15H,2-3,10-14H2,1H3,(H,25,28)
InChIKeyZTEGWYDIAOQUIF-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide (CID 108741099) is 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide is CN1CCN(C(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The InChIKey is ZTEGWYDIAOQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O3/c1-26-10-12-27(13-11-26)22(29)16-4-7-18(8-5-16)25-21(28)3-2-14-30-20-9-6-17(23)15-19(20)24/h4-9,15H,2-3,10-14H2,1H3,(H,25,28).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide has a molecular weight of 450.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 108741099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).