N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride

C24H26Cl2N2O3 — CID 44537309

IUPACN-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride
SMILESCCN(CC)Cc1cc(NC(=O)c2ccccc2O)ccc1Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClN2O3.ClH/c1-3-27(4-2)16-17-15-19(26-24(29)21-7-5-6-8-22(21)28)11-14-23(17)30-20-12-9-18(25)10-13-20;/h5-15,28H,3-4,16H2,1-2H3,(H,26,29);1H
InChIKeyVUBAORLYHYZHOZ-UHFFFAOYSA-N
MW461.39 g/mol
LogP6.35
Rot. Bonds8

About N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride

N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride (PubChem CID 44537309) has the molecular formula C24H26Cl2N2O3 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride
PubChem CID44537309
Molecular FormulaC24H26Cl2N2O3
Molecular Weight461.39 g/mol
Exact Mass460.13
IUPAC NameN-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride
SMILESCCN(CC)Cc1cc(NC(=O)c2ccccc2O)ccc1Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClN2O3.ClH/c1-3-27(4-2)16-17-15-19(26-24(29)21-7-5-6-8-22(21)28)11-14-23(17)30-20-12-9-18(25)10-13-20;/h5-15,28H,3-4,16H2,1-2H3,(H,26,29);1H
InChIKeyVUBAORLYHYZHOZ-UHFFFAOYSA-N
XLogP6.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride?
The IUPAC name of N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride (CID 44537309) is N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride.
What is the SMILES notation for N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride?
The canonical SMILES for N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride is CCN(CC)Cc1cc(NC(=O)c2ccccc2O)ccc1Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride?
The InChIKey is VUBAORLYHYZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3.ClH/c1-3-27(4-2)16-17-15-19(26-24(29)21-7-5-6-8-22(21)28)11-14-23(17)30-20-12-9-18(25)10-13-20;/h5-15,28H,3-4,16H2,1-2H3,(H,26,29);1H.
What are the key properties of N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride?
N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride has a molecular weight of 461.39 g/mol, XLogP of 6.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)-3-(diethylaminomethyl)phenyl]-2-hydroxybenzamide;hydrochloride is sourced from PubChem (CID 44537309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).