2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide

C20H21F2NO4 — CID 42961589

IUPAC2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(F)ccc2F)ccc1OCC1CCCO1
InChIInChI=1S/C20H21F2NO4/c1-25-19-9-13(4-7-18(19)27-12-15-3-2-8-26-15)11-23-20(24)16-10-14(21)5-6-17(16)22/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,23,24)
InChIKeyUDCXMLZUEVTHOA-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.46
Rot. Bonds7

About 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide

2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 42961589) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID42961589
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(F)ccc2F)ccc1OCC1CCCO1
InChIInChI=1S/C20H21F2NO4/c1-25-19-9-13(4-7-18(19)27-12-15-3-2-8-26-15)11-23-20(24)16-10-14(21)5-6-17(16)22/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,23,24)
InChIKeyUDCXMLZUEVTHOA-UHFFFAOYSA-N
XLogP3.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
5-ethoxy-4-methoxy-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-nitrobenzamide
CID 55708025
2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 55715976
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (CID 42961589) is 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is COc1cc(CNC(=O)c2cc(F)ccc2F)ccc1OCC1CCCO1.
What is the InChIKey of 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is UDCXMLZUEVTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-25-19-9-13(4-7-18(19)27-12-15-3-2-8-26-15)11-23-20(24)16-10-14(21)5-6-17(16)22/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,23,24).
What are the key properties of 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 377.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 42961589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).