5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C15H12BrF2N3O4 — CID 26560592

IUPAC5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2N3O4/c16-12-4-3-11(25-12)15(24)20-6-13(22)19-7-14(23)21-8-1-2-9(17)10(18)5-8/h1-5H,6-7H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyZTDQOPSXNVFXEQ-UHFFFAOYSA-N
MW416.18 g/mol
LogP1.80
Rot. Bonds6

About 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 26560592) has the molecular formula C15H12BrF2N3O4 and a molecular weight of 416.18 g/mol. Its IUPAC name is 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID26560592
Molecular FormulaC15H12BrF2N3O4
Molecular Weight416.18 g/mol
Exact Mass415.00
IUPAC Name5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2N3O4/c16-12-4-3-11(25-12)15(24)20-6-13(22)19-7-14(23)21-8-1-2-9(17)10(18)5-8/h1-5H,6-7H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyZTDQOPSXNVFXEQ-UHFFFAOYSA-N
XLogP1.80
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.18
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 26560592) is 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZTDQOPSXNVFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N3O4/c16-12-4-3-11(25-12)15(24)20-6-13(22)19-7-14(23)21-8-1-2-9(17)10(18)5-8/h1-5H,6-7H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 416.18 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 26560592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).