4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide

C19H19F4NO4 — CID 86975231

IUPAC4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2c(F)cc(OC(F)F)cc2F)cc1OC
InChIInChI=1S/C19H19F4NO4/c1-10-5-15(26-3)16(27-4)6-11(10)9-24(2)18(25)17-13(20)7-12(8-14(17)21)28-19(22)23/h5-8,19H,9H2,1-4H3
InChIKeyFOLYBTXIHFTELP-UHFFFAOYSA-N
MW401.36 g/mol
LogP4.16
Rot. Bonds7

About 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide

4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide (PubChem CID 86975231) has the molecular formula C19H19F4NO4 and a molecular weight of 401.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide
PubChem CID86975231
Molecular FormulaC19H19F4NO4
Molecular Weight401.36 g/mol
Exact Mass401.13
IUPAC Name4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2c(F)cc(OC(F)F)cc2F)cc1OC
InChIInChI=1S/C19H19F4NO4/c1-10-5-15(26-3)16(27-4)6-11(10)9-24(2)18(25)17-13(20)7-12(8-14(17)21)28-19(22)23/h5-8,19H,9H2,1-4H3
InChIKeyFOLYBTXIHFTELP-UHFFFAOYSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
CID 99854772
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
2-(2,5-difluorophenyl)sulfanyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 9277264
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 86849592
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
(3R)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-N,3-dimethylbutanamide
CID 9084962
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide (CID 86975231) is 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide is COc1cc(C)c(CN(C)C(=O)c2c(F)cc(OC(F)F)cc2F)cc1OC.
What is the InChIKey of 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide?
The InChIKey is FOLYBTXIHFTELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO4/c1-10-5-15(26-3)16(27-4)6-11(10)9-24(2)18(25)17-13(20)7-12(8-14(17)21)28-19(22)23/h5-8,19H,9H2,1-4H3.
What are the key properties of 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide?
4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide has a molecular weight of 401.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 86975231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).