5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

C20H16BrF2NO4 — CID 19450342

IUPAC5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C20H16BrF2NO4/c1-12-10-13(28-20(22)23)6-8-16(12)24-19(25)18-9-7-14(27-18)11-26-17-5-3-2-4-15(17)21/h2-10,20H,11H2,1H3,(H,24,25)
InChIKeyZKEIAYHJWRAICT-UHFFFAOYSA-N
MW452.25 g/mol
LogP5.78
Rot. Bonds7

About 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (PubChem CID 19450342) has the molecular formula C20H16BrF2NO4 and a molecular weight of 452.25 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
PubChem CID19450342
Molecular FormulaC20H16BrF2NO4
Molecular Weight452.25 g/mol
Exact Mass451.02
IUPAC Name5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C20H16BrF2NO4/c1-12-10-13(28-20(22)23)6-8-16(12)24-19(25)18-9-7-14(27-18)11-26-17-5-3-2-4-15(17)21/h2-10,20H,11H2,1H3,(H,24,25)
InChIKeyZKEIAYHJWRAICT-UHFFFAOYSA-N
XLogP5.78
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.25
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19452486
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465916
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917140
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (CID 19450342) is 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is ZKEIAYHJWRAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2NO4/c1-12-10-13(28-20(22)23)6-8-16(12)24-19(25)18-9-7-14(27-18)11-26-17-5-3-2-4-15(17)21/h2-10,20H,11H2,1H3,(H,24,25).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 452.25 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 19450342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).