3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide

C23H22FNO4 — CID 118460227

IUPAC3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide
SMILESCON(C)C(=O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-25(27-2)23(26)19-13-20(24)22(29-16-18-11-7-4-8-12-18)21(14-19)28-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3
InChIKeyPEPSUTWEMZHGGN-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.62
Rot. Bonds8

About 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide

3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide (PubChem CID 118460227) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide
PubChem CID118460227
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide
SMILESCON(C)C(=O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-25(27-2)23(26)19-13-20(24)22(29-16-18-11-7-4-8-12-18)21(14-19)28-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3
InChIKeyPEPSUTWEMZHGGN-UHFFFAOYSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 4832181
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
2-[3-fluoro-4,5-bis(phenylmethoxy)phenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoacetamide
CID 123153445
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide?
The IUPAC name of 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide (CID 118460227) is 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide.
What is the SMILES notation for 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide?
The canonical SMILES for 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide is CON(C)C(=O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide?
The InChIKey is PEPSUTWEMZHGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-25(27-2)23(26)19-13-20(24)22(29-16-18-11-7-4-8-12-18)21(14-19)28-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide?
3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 118460227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).