N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C21H21F2NO4 — CID 60578769

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)cc1OC(F)F
InChIInChI=1S/C21H21F2NO4/c1-11-5-6-12(2)18-17(11)13(3)19(28-18)20(25)24-10-14-7-8-15(26-4)16(9-14)27-21(22)23/h5-9,21H,10H2,1-4H3,(H,24,25)
InChIKeyLDVOPAZWHHSEEJ-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.90
Rot. Bonds6

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 60578769) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID60578769
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)cc1OC(F)F
InChIInChI=1S/C21H21F2NO4/c1-11-5-6-12(2)18-17(11)13(3)19(28-18)20(25)24-10-14-7-8-15(26-4)16(9-14)27-21(22)23/h5-9,21H,10H2,1-4H3,(H,24,25)
InChIKeyLDVOPAZWHHSEEJ-UHFFFAOYSA-N
XLogP4.90
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
CID 38326796
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 38966384
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760837
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 60578769) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is LDVOPAZWHHSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO4/c1-11-5-6-12(2)18-17(11)13(3)19(28-18)20(25)24-10-14-7-8-15(26-4)16(9-14)27-21(22)23/h5-9,21H,10H2,1-4H3,(H,24,25).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60578769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).