N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride

C20H23Cl3N2O3 — CID 22322198

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
SMILESCl.O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1
InChIInChI=1S/C20H22Cl2N2O3.ClH/c21-18-5-4-17(13-19(18)22)27-16-6-9-24(10-7-16)11-8-23-20(26)14-2-1-3-15(25)12-14;/h1-5,12-13,16,25H,6-11H2,(H,23,26);1H
InChIKeySETIHLUZSWNKTG-UHFFFAOYSA-N
MW445.77 g/mol
LogP4.39
Rot. Bonds6

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride (PubChem CID 22322198) has the molecular formula C20H23Cl3N2O3 and a molecular weight of 445.77 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
PubChem CID22322198
Molecular FormulaC20H23Cl3N2O3
Molecular Weight445.77 g/mol
Exact Mass444.08
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
SMILESCl.O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1
InChIInChI=1S/C20H22Cl2N2O3.ClH/c21-18-5-4-17(13-19(18)22)27-16-6-9-24(10-7-16)11-8-23-20(26)14-2-1-3-15(25)12-14;/h1-5,12-13,16,25H,6-11H2,(H,23,26);1H
InChIKeySETIHLUZSWNKTG-UHFFFAOYSA-N
XLogP4.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-(dimethylamino)benzamide
CID 68580411
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride (CID 22322198) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride is Cl.O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride?
The InChIKey is SETIHLUZSWNKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3.ClH/c21-18-5-4-17(13-19(18)22)27-16-6-9-24(10-7-16)11-8-23-20(26)14-2-1-3-15(25)12-14;/h1-5,12-13,16,25H,6-11H2,(H,23,26);1H.
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride has a molecular weight of 445.77 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride is sourced from PubChem (CID 22322198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).