2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C24H30ClFN4O2 — CID 46807734

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C24H30ClFN4O2/c1-18(24(31)27-19-5-7-20(8-6-19)30-13-15-32-16-14-30)29-11-9-28(10-12-29)17-21-22(25)3-2-4-23(21)26/h2-8,18H,9-17H2,1H3,(H,27,31)
InChIKeyIXNXDZCWIIIBQZ-UHFFFAOYSA-N
MW460.98 g/mol
LogP3.46
Rot. Bonds6

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 46807734) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID46807734
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C24H30ClFN4O2/c1-18(24(31)27-19-5-7-20(8-6-19)30-13-15-32-16-14-30)29-11-9-28(10-12-29)17-21-22(25)3-2-4-23(21)26/h2-8,18H,9-17H2,1H3,(H,27,31)
InChIKeyIXNXDZCWIIIBQZ-UHFFFAOYSA-N
XLogP3.46
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46699792
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110884154
(2R)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 31372423
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 46807734) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is IXNXDZCWIIIBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O2/c1-18(24(31)27-19-5-7-20(8-6-19)30-13-15-32-16-14-30)29-11-9-28(10-12-29)17-21-22(25)3-2-4-23(21)26/h2-8,18H,9-17H2,1H3,(H,27,31).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 460.98 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 46807734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).