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

C20H18F3NO4 — CID 43017176

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)ccc1OC(F)F
InChIInChI=1S/C20H18F3NO4/c1-11-13-5-4-6-14(21)18(13)28-17(11)19(25)24(2)10-12-7-8-15(27-20(22)23)16(9-12)26-3/h4-9,20H,10H2,1-3H3
InChIKeyCSYAZEBEHXHASB-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.76
Rot. Bonds6

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 43017176) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID43017176
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)ccc1OC(F)F
InChIInChI=1S/C20H18F3NO4/c1-11-13-5-4-6-14(21)18(13)28-17(11)19(25)24(2)10-12-7-8-15(27-20(22)23)16(9-12)26-3/h4-9,20H,10H2,1-3H3
InChIKeyCSYAZEBEHXHASB-UHFFFAOYSA-N
XLogP4.76
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55754801
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27781098
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
CID 55911154
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 55380693

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 43017176) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is CSYAZEBEHXHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c1-11-13-5-4-6-14(21)18(13)28-17(11)19(25)24(2)10-12-7-8-15(27-20(22)23)16(9-12)26-3/h4-9,20H,10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 393.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43017176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).