2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide

C22H27ClFN3O2 — CID 34995850

IUPAC2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFN3O2/c1-22(2,29-20-9-3-17(23)4-10-20)21(28)25-11-12-26-13-15-27(16-14-26)19-7-5-18(24)6-8-19/h3-10H,11-16H2,1-2H3,(H,25,28)
InChIKeyNLXVIIOHRVFKFY-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide (PubChem CID 34995850) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
PubChem CID34995850
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFN3O2/c1-22(2,29-20-9-3-17(23)4-10-20)21(28)25-11-12-26-13-15-27(16-14-26)19-7-5-18(24)6-8-19/h3-10H,11-16H2,1-2H3,(H,25,28)
InChIKeyNLXVIIOHRVFKFY-UHFFFAOYSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
tert-butyl N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]carbamate;2-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 159897422
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide (CID 34995850) is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is NLXVIIOHRVFKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O2/c1-22(2,29-20-9-3-17(23)4-10-20)21(28)25-11-12-26-13-15-27(16-14-26)19-7-5-18(24)6-8-19/h3-10H,11-16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 419.93 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 34995850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).