N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide

C21H17F3N2O3 — CID 46562764

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H17F3N2O3/c1-2-26(12-19(27)25-20-15(23)8-5-9-16(20)24)21(28)18-11-10-17(29-18)13-6-3-4-7-14(13)22/h3-11H,2,12H2,1H3,(H,25,27)
InChIKeyHSCRMTBRTPNFSX-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 46562764) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID46562764
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H17F3N2O3/c1-2-26(12-19(27)25-20-15(23)8-5-9-16(20)24)21(28)18-11-10-17(29-18)13-6-3-4-7-14(13)22/h3-11H,2,12H2,1H3,(H,25,27)
InChIKeyHSCRMTBRTPNFSX-UHFFFAOYSA-N
XLogP4.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 134014500
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
5-(2-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388419
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
N-(2,6-difluorophenyl)-2-[ethyl(9H-fluoren-9-yl)amino]acetamide
CID 112769371
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide (CID 46562764) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is HSCRMTBRTPNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-2-26(12-19(27)25-20-15(23)8-5-9-16(20)24)21(28)18-11-10-17(29-18)13-6-3-4-7-14(13)22/h3-11H,2,12H2,1H3,(H,25,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 46562764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).