N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

C22H20F2N2O5 — CID 27781098

IUPACN-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N2O5/c1-26(13-14-5-10-17(31-22(23)24)19(12-14)29-2)21(28)15-6-8-16(9-7-15)25-20(27)18-4-3-11-30-18/h3-12,22H,13H2,1-2H3,(H,25,27)
InChIKeyCRFOGTUXRRSXBL-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.41
Rot. Bonds8

About N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 27781098) has the molecular formula C22H20F2N2O5 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID27781098
Molecular FormulaC22H20F2N2O5
Molecular Weight430.41 g/mol
Exact Mass430.13
IUPAC NameN-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N2O5/c1-26(13-14-5-10-17(31-22(23)24)19(12-14)29-2)21(28)15-6-8-16(9-7-15)25-20(27)18-4-3-11-30-18/h3-12,22H,13H2,1-2H3,(H,25,27)
InChIKeyCRFOGTUXRRSXBL-UHFFFAOYSA-N
XLogP4.41
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
N-[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43003342
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 46672288
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-4-nitrobenzamide
CID 55612063
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 27781098) is N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is COc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(F)F.
What is the InChIKey of N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is CRFOGTUXRRSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O5/c1-26(13-14-5-10-17(31-22(23)24)19(12-14)29-2)21(28)15-6-8-16(9-7-15)25-20(27)18-4-3-11-30-18/h3-12,22H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27781098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).