2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide

C21H24Cl2N2O4 — CID 22241244

IUPAC2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O4/c22-18-6-5-16(11-19(18)23)29-15-7-9-25(10-8-15)12-14(26)13-28-20-4-2-1-3-17(20)21(24)27/h1-6,11,14-15,26H,7-10,12-13H2,(H2,24,27)
InChIKeyMZMMHYNAODDGHO-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.38
Rot. Bonds8

About 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide

2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide (PubChem CID 22241244) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
PubChem CID22241244
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O4/c22-18-6-5-16(11-19(18)23)29-15-7-9-25(10-8-15)12-14(26)13-28-20-4-2-1-3-17(20)21(24)27/h1-6,11,14-15,26H,7-10,12-13H2,(H2,24,27)
InChIKeyMZMMHYNAODDGHO-UHFFFAOYSA-N
XLogP3.38
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoyl]amino]acetate
CID 10141592
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanamide
CID 10183468
1-(2-anilinophenoxy)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propan-2-ol;dihydrochloride
CID 70139999
[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]urea;2,2,2-trifluoroacetic acid
CID 171923670
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041982
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
2-[2-[(2R)-3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 154072204
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
1-[7-[3-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
CID 10277288
2-[5-chloro-2-[2-hydroxy-3-(3-phenoxypyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 70108048
methyl 2-[[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoyl]amino]-2-methylpropanoate
CID 10206693

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide?
The IUPAC name of 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide (CID 22241244) is 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide.
What is the SMILES notation for 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide?
The canonical SMILES for 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide is NC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide?
The InChIKey is MZMMHYNAODDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c22-18-6-5-16(11-19(18)23)29-15-7-9-25(10-8-15)12-14(26)13-28-20-4-2-1-3-17(20)21(24)27/h1-6,11,14-15,26H,7-10,12-13H2,(H2,24,27).
What are the key properties of 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide?
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide has a molecular weight of 439.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide is sourced from PubChem (CID 22241244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).