N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide

C21H25ClFN3O2 — CID 60554347

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CCCOc2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-25-10-12-26(13-11-25)19-9-8-16(22)15-18(19)24-21(27)7-4-14-28-20-6-3-2-5-17(20)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27)
InChIKeyMXVZNKOWHZWHLX-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.03
Rot. Bonds7

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide (PubChem CID 60554347) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
PubChem CID60554347
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CCCOc2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-25-10-12-26(13-11-25)19-9-8-16(22)15-18(19)24-21(27)7-4-14-28-20-6-3-2-5-17(20)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27)
InChIKeyMXVZNKOWHZWHLX-UHFFFAOYSA-N
XLogP4.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.03
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

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
4-(2,4-difluorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 56517196
3-(2-fluorophenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 2449861
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566612
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide (CID 60554347) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide is CN1CCN(c2ccc(Cl)cc2NC(=O)CCCOc2ccccc2F)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide?
The InChIKey is MXVZNKOWHZWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-25-10-12-26(13-11-25)19-9-8-16(22)15-18(19)24-21(27)7-4-14-28-20-6-3-2-5-17(20)23/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide has a molecular weight of 405.90 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 60554347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).