3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C21H19FN2O4 — CID 55847820

IUPAC3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1F)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H19FN2O4/c22-18-8-1-2-9-19(18)28-14-20(25)23-12-15-5-3-6-16(11-15)21(26)24-13-17-7-4-10-27-17/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyTUUGHXRXBYTOTB-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.04
Rot. Bonds8

About 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55847820) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55847820
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1F)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H19FN2O4/c22-18-8-1-2-9-19(18)28-14-20(25)23-12-15-5-3-6-16(11-15)21(26)24-13-17-7-4-10-27-17/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyTUUGHXRXBYTOTB-UHFFFAOYSA-N
XLogP3.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55866772
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-ethyl-3-[[[2-(2-formylphenoxy)acetyl]amino]methyl]benzamide
CID 60513737
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55847820) is 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(COc1ccccc1F)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is TUUGHXRXBYTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-18-8-1-2-9-19(18)28-14-20(25)23-12-15-5-3-6-16(11-15)21(26)24-13-17-7-4-10-27-17/h1-11H,12-14H2,(H,23,25)(H,24,26).
What are the key properties of 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 382.39 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55847820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).