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

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

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

Launch Full Analysis

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).