2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide

C25H25FN4O3 — CID 66591114

IUPAC2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1ccn[nH]1
InChIInChI=1S/C25H25FN4O3/c26-21-6-1-5-20(14-21)18-33-22-7-2-4-19(15-22)10-12-30(16-23-8-3-13-32-23)17-25(31)28-24-9-11-27-29-24/h1-9,11,13-15H,10,12,16-18H2,(H2,27,28,29,31)
InChIKeyKRCFJQLXEQRDTJ-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.40
Rot. Bonds11

About 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide

2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 66591114) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide
PubChem CID66591114
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1ccn[nH]1
InChIInChI=1S/C25H25FN4O3/c26-21-6-1-5-20(14-21)18-33-22-7-2-4-19(15-22)10-12-30(16-23-8-3-13-32-23)17-25(31)28-24-9-11-27-29-24/h1-9,11,13-15H,10,12,16-18H2,(H2,27,28,29,31)
InChIKeyKRCFJQLXEQRDTJ-UHFFFAOYSA-N
XLogP4.40
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride
CID 66591504
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 66591030
2-[furan-2-ylmethyl-[2-(3-phenylmethoxyphenyl)ethyl]amino]-N-methylacetamide
CID 59596821
2-[furan-2-ylmethyl-[2-[3-(2-piperidin-1-ylethoxy)phenyl]ethyl]amino]-N-methylacetamide;hydrochloride
CID 66590485
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591709
(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 35767703
[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium
CID 8621142
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
CID 91450426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide (CID 66591114) is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide is O=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1ccn[nH]1.
What is the InChIKey of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is KRCFJQLXEQRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-21-6-1-5-20(14-21)18-33-22-7-2-4-19(15-22)10-12-30(16-23-8-3-13-32-23)17-25(31)28-24-9-11-27-29-24/h1-9,11,13-15H,10,12,16-18H2,(H2,27,28,29,31).
What are the key properties of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide?
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 448.50 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 66591114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).