3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C20H24ClN3O2 — CID 108802305

IUPAC3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-23-11-13-24(14-12-23)17-8-6-16(7-9-17)22-20(25)10-15-26-19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeySXXVSQSDWFAOAU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.50
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 108802305) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID108802305
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-23-11-13-24(14-12-23)17-8-6-16(7-9-17)22-20(25)10-15-26-19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeySXXVSQSDWFAOAU-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 108802305) is 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is CN1CCN(c2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is SXXVSQSDWFAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-23-11-13-24(14-12-23)17-8-6-16(7-9-17)22-20(25)10-15-26-19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 108802305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).