2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C21H24ClFN2O3 — CID 131943396

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H24ClFN2O3/c1-14(27-20-8-3-15(23)13-19(20)22)21(26)24-16-4-6-17(7-5-16)28-18-9-11-25(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3,(H,24,26)
InChIKeyGRUDJIGBNQZYSJ-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 131943396) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID131943396
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H24ClFN2O3/c1-14(27-20-8-3-15(23)13-19(20)22)21(26)24-16-4-6-17(7-5-16)28-18-9-11-25(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3,(H,24,26)
InChIKeyGRUDJIGBNQZYSJ-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665241
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7610324
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 131943396) is 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is CC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is GRUDJIGBNQZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c1-14(27-20-8-3-15(23)13-19(20)22)21(26)24-16-4-6-17(7-5-16)28-18-9-11-25(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 406.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 131943396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).