N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

C22H27ClF2N2O4 — CID 6603602

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)c2c(F)cccc2F)cc1OC.Cl
InChIInChI=1S/C22H26F2N2O4.ClH/c1-28-19-7-6-16(14-20(19)29-2)15-26(9-8-25-10-12-30-13-11-25)22(27)21-17(23)4-3-5-18(21)24;/h3-7,14H,8-13,15H2,1-2H3;1H
InChIKeyQFFRHSFIVPJJSY-UHFFFAOYSA-N
MW456.92 g/mol
LogP3.38
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 6603602) has the molecular formula C22H27ClF2N2O4 and a molecular weight of 456.92 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID6603602
Molecular FormulaC22H27ClF2N2O4
Molecular Weight456.92 g/mol
Exact Mass456.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)c2c(F)cccc2F)cc1OC.Cl
InChIInChI=1S/C22H26F2N2O4.ClH/c1-28-19-7-6-16(14-20(19)29-2)15-26(9-8-25-10-12-30-13-11-25)22(27)21-17(23)4-3-5-18(21)24;/h3-7,14H,8-13,15H2,1-2H3;1H
InChIKeyQFFRHSFIVPJJSY-UHFFFAOYSA-N
XLogP3.38
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.92
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 6603602) is N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is COc1ccc(CN(CCN2CCOCC2)C(=O)c2c(F)cccc2F)cc1OC.Cl.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is QFFRHSFIVPJJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4.ClH/c1-28-19-7-6-16(14-20(19)29-2)15-26(9-8-25-10-12-30-13-11-25)22(27)21-17(23)4-3-5-18(21)24;/h3-7,14H,8-13,15H2,1-2H3;1H.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 456.92 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 6603602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).