5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide

C24H24F2N2O5 — CID 171908519

IUPAC5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2ccc(F)cc2F)c(OC)c1OC
InChIInChI=1S/C24H24F2N2O5/c1-30-21-17(24(29)28-19-9-6-15(25)12-18(19)26)13-20(22(31-2)23(21)32-3)33-16-7-4-14(5-8-16)10-11-27/h4-9,12-13H,10-11,27H2,1-3H3,(H,28,29)
InChIKeyGVOBGMNOJTTYEL-UHFFFAOYSA-N
MW458.46 g/mol
LogP4.54
Rot. Bonds9

About 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide

5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide (PubChem CID 171908519) has the molecular formula C24H24F2N2O5 and a molecular weight of 458.46 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
PubChem CID171908519
Molecular FormulaC24H24F2N2O5
Molecular Weight458.46 g/mol
Exact Mass458.17
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2ccc(F)cc2F)c(OC)c1OC
InChIInChI=1S/C24H24F2N2O5/c1-30-21-17(24(29)28-19-9-6-15(25)12-18(19)26)13-20(22(31-2)23(21)32-3)33-16-7-4-14(5-8-16)10-11-27/h4-9,12-13H,10-11,27H2,1-3H3,(H,28,29)
InChIKeyGVOBGMNOJTTYEL-UHFFFAOYSA-N
XLogP4.54
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 171910793
5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 171386506
5-[4-(2-aminoethyl)phenoxy]-N-(2-ethyl-6-methylphenyl)-2,3,4-trimethoxybenzamide
CID 171910548
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
CID 171916109
5-[4-(2-aminoethyl)phenoxy]-N-(2,3-dihydro-1H-inden-2-yl)-2,3,4-trimethoxybenzamide
CID 171388001
5-[4-(2-aminoethyl)phenoxy]-N-cyclopent-2-en-1-yl-2,3,4-trimethoxybenzamide
CID 172674388
5-[4-(2-aminoethyl)phenoxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3,4-trimethoxybenzamide;dihydrochloride
CID 171992013
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 171386046
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 171991868
5-[4-(2-aminoethyl)phenoxy]-N-cyclopropyl-2,3,4-trimethoxy-N-(oxan-4-yl)benzamide
CID 171912488
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(2-ethylpiperidin-1-yl)methanone
CID 171389734
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 172911619

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide (CID 171908519) is 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide is COc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2ccc(F)cc2F)c(OC)c1OC.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide?
The InChIKey is GVOBGMNOJTTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O5/c1-30-21-17(24(29)28-19-9-6-15(25)12-18(19)26)13-20(22(31-2)23(21)32-3)33-16-7-4-14(5-8-16)10-11-27/h4-9,12-13H,10-11,27H2,1-3H3,(H,28,29).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide?
5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide has a molecular weight of 458.46 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 171908519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).