2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride

C24H28ClFN2O4 — CID 66591709

IUPAC2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)Cc1ccoc1.Cl
InChIInChI=1S/C24H27FN2O4.ClH/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19;/h3-7,9,11-13,16H,8,10,14-15,17H2,1-2H3,(H,26,28);1H
InChIKeyAEYUHLXQAAAXOZ-UHFFFAOYSA-N
MW462.95 g/mol
LogP4.22
Rot. Bonds11

About 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride (PubChem CID 66591709) has the molecular formula C24H28ClFN2O4 and a molecular weight of 462.95 g/mol. Its IUPAC name is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
PubChem CID66591709
Molecular FormulaC24H28ClFN2O4
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC Name2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)Cc1ccoc1.Cl
InChIInChI=1S/C24H27FN2O4.ClH/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19;/h3-7,9,11-13,16H,8,10,14-15,17H2,1-2H3,(H,26,28);1H
InChIKeyAEYUHLXQAAAXOZ-UHFFFAOYSA-N
XLogP4.22
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
CID 25017722
4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
CID 142758285
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride
CID 66591385
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
CID 161071663
CID 161071663
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 66591901
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 66591030

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride (CID 66591709) is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride is CNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)Cc1ccoc1.Cl.
What is the InChIKey of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The InChIKey is AEYUHLXQAAAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4.ClH/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19;/h3-7,9,11-13,16H,8,10,14-15,17H2,1-2H3,(H,26,28);1H.
What are the key properties of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride?
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride has a molecular weight of 462.95 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 66591709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).