3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide

C20H18FNO4 — CID 87006764

IUPAC3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1F
InChIInChI=1S/C20H18FNO4/c1-24-19-8-7-15(11-18(19)21)20(23)22-16-5-2-4-14(10-16)12-25-13-17-6-3-9-26-17/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyMUOUFGOIXSRKSY-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.40
Rot. Bonds7

About 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide

3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide (PubChem CID 87006764) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
PubChem CID87006764
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1F
InChIInChI=1S/C20H18FNO4/c1-24-19-8-7-15(11-18(19)21)20(23)22-16-5-2-4-14(10-16)12-25-13-17-6-3-9-26-17/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyMUOUFGOIXSRKSY-UHFFFAOYSA-N
XLogP4.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 55806690
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98890248
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide (CID 87006764) is 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1F.
What is the InChIKey of 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The InChIKey is MUOUFGOIXSRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-24-19-8-7-15(11-18(19)21)20(23)22-16-5-2-4-14(10-16)12-25-13-17-6-3-9-26-17/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide has a molecular weight of 355.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 87006764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).