2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide

C21H23ClF2N2O2 — CID 86944611

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClF2N2O2/c1-14(28-20-8-5-16(24)13-19(20)22)21(27)25(2)17-9-11-26(12-10-17)18-6-3-15(23)4-7-18/h3-8,13-14,17H,9-12H2,1-2H3
InChIKeyJLWLJDVAGYNKCD-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.51
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide

2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide (PubChem CID 86944611) has the molecular formula C21H23ClF2N2O2 and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
PubChem CID86944611
Molecular FormulaC21H23ClF2N2O2
Molecular Weight408.88 g/mol
Exact Mass408.14
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClF2N2O2/c1-14(28-20-8-5-16(24)13-19(20)22)21(27)25(2)17-9-11-26(12-10-17)18-6-3-15(23)4-7-18/h3-8,13-14,17H,9-12H2,1-2H3
InChIKeyJLWLJDVAGYNKCD-UHFFFAOYSA-N
XLogP4.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
CID 125152341
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111562005
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 86887457
2-(2-chloro-4-fluorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023883
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
2-(2-chloro-4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119564143
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761
(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95625411

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide (CID 86944611) is 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide is CC(Oc1ccc(F)cc1Cl)C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide?
The InChIKey is JLWLJDVAGYNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O2/c1-14(28-20-8-5-16(24)13-19(20)22)21(27)25(2)17-9-11-26(12-10-17)18-6-3-15(23)4-7-18/h3-8,13-14,17H,9-12H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide?
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide has a molecular weight of 408.88 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 86944611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).