[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium

C20H18ClF2N2O2+ — CID 9435416

IUPAC[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H17ClF2N2O2/c1-25(12-19(26)24-20-16(22)3-2-4-17(20)23)11-15-9-10-18(27-15)13-5-7-14(21)8-6-13/h2-10H,11-12H2,1H3,(H,24,26)/p+1
InChIKeyUPIBCCNHUZJROY-UHFFFAOYSA-O
MW391.83 g/mol
LogP3.53
Rot. Bonds6

About [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium

[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9435416) has the molecular formula C20H18ClF2N2O2+ and a molecular weight of 391.83 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9435416
Molecular FormulaC20H18ClF2N2O2+
Molecular Weight391.83 g/mol
Exact Mass391.10
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H17ClF2N2O2/c1-25(12-19(26)24-20-16(22)3-2-4-17(20)23)11-15-9-10-18(27-15)13-5-7-14(21)8-6-13/h2-10H,11-12H2,1H3,(H,24,26)/p+1
InChIKeyUPIBCCNHUZJROY-UHFFFAOYSA-O
XLogP3.53
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720910
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9435482
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 9435452
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9296230
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223729
[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
CID 9038981
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 8596739

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium (CID 9435416) is [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is UPIBCCNHUZJROY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17ClF2N2O2/c1-25(12-19(26)24-20-16(22)3-2-4-17(20)23)11-15-9-10-18(27-15)13-5-7-14(21)8-6-13/h2-10H,11-12H2,1H3,(H,24,26)/p+1.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium?
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 391.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9435416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).