2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

C21H26FN3O2 — CID 56919529

IUPAC2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-16(27-20-9-5-18(22)6-10-20)21(26)23-15-17-3-7-19(8-4-17)25-13-11-24(2)12-14-25/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyJCIIOILJIQAKSU-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (PubChem CID 56919529) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
PubChem CID56919529
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-16(27-20-9-5-18(22)6-10-20)21(26)23-15-17-3-7-19(8-4-17)25-13-11-24(2)12-14-25/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyJCIIOILJIQAKSU-UHFFFAOYSA-N
XLogP2.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 132657777
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
(2S)-2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 30400873
2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 132666019
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (CID 56919529) is 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The InChIKey is JCIIOILJIQAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(27-20-9-5-18(22)6-10-20)21(26)23-15-17-3-7-19(8-4-17)25-13-11-24(2)12-14-25/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 56919529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).