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

C21H19F2NO5 — CID 55806690

IUPAC3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1OC(F)F
InChIInChI=1S/C21H19F2NO5/c1-26-18-8-7-15(11-19(18)29-21(22)23)20(25)24-16-5-2-4-14(10-16)12-27-13-17-6-3-9-28-17/h2-11,21H,12-13H2,1H3,(H,24,25)
InChIKeyGNFDNXNRLJEGSH-UHFFFAOYSA-N
MW403.38 g/mol
LogP4.86
Rot. Bonds9

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

3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide (PubChem CID 55806690) has the molecular formula C21H19F2NO5 and a molecular weight of 403.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
PubChem CID55806690
Molecular FormulaC21H19F2NO5
Molecular Weight403.38 g/mol
Exact Mass403.12
IUPAC Name3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1OC(F)F
InChIInChI=1S/C21H19F2NO5/c1-26-18-8-7-15(11-19(18)29-21(22)23)20(25)24-16-5-2-4-14(10-16)12-27-13-17-6-3-9-28-17/h2-11,21H,12-13H2,1H3,(H,24,25)
InChIKeyGNFDNXNRLJEGSH-UHFFFAOYSA-N
XLogP4.86
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
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
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide (CID 55806690) is 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
The InChIKey is GNFDNXNRLJEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO5/c1-26-18-8-7-15(11-19(18)29-21(22)23)20(25)24-16-5-2-4-14(10-16)12-27-13-17-6-3-9-28-17/h2-11,21H,12-13H2,1H3,(H,24,25).
What are the key properties of 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide?
3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide has a molecular weight of 403.38 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 55806690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).