N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide

C20H20Cl2N2O4 — CID 108551390

IUPACN-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)c1ccccc1O
InChIInChI=1S/C20H20Cl2N2O4/c21-13-5-6-18(16(22)11-13)28-12-19(26)24-9-7-14(8-10-24)23-20(27)15-3-1-2-4-17(15)25/h1-6,11,14,25H,7-10,12H2,(H,23,27)
InChIKeyFCRUMAYOKHAJPC-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide

N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide (PubChem CID 108551390) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
PubChem CID108551390
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC NameN-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)c1ccccc1O
InChIInChI=1S/C20H20Cl2N2O4/c21-13-5-6-18(16(22)11-13)28-12-19(26)24-9-7-14(8-10-24)23-20(27)15-3-1-2-4-17(15)25/h1-6,11,14,25H,7-10,12H2,(H,23,27)
InChIKeyFCRUMAYOKHAJPC-UHFFFAOYSA-N
XLogP3.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
CID 138580569
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930362
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide (CID 108551390) is N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide is O=C(NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)c1ccccc1O.
What is the InChIKey of N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide?
The InChIKey is FCRUMAYOKHAJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c21-13-5-6-18(16(22)11-13)28-12-19(26)24-9-7-14(8-10-24)23-20(27)15-3-1-2-4-17(15)25/h1-6,11,14,25H,7-10,12H2,(H,23,27).
What are the key properties of N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide?
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide has a molecular weight of 423.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 108551390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).