2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide

C20H10F6N2O2 — CID 3094065

IUPAC2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1c(F)c(F)c(C(=O)Nc2cccc(F)c2)c(F)c1F
InChIInChI=1S/C20H10F6N2O2/c21-9-3-1-5-11(7-9)27-19(29)13-15(23)17(25)14(18(26)16(13)24)20(30)28-12-6-2-4-10(22)8-12/h1-8H,(H,27,29)(H,28,30)
InChIKeyYOIAYWSKZQYNKU-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.03
Rot. Bonds4

About 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide

2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 3094065) has the molecular formula C20H10F6N2O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID3094065
Molecular FormulaC20H10F6N2O2
Molecular Weight424.30 g/mol
Exact Mass424.06
IUPAC Name2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1c(F)c(F)c(C(=O)Nc2cccc(F)c2)c(F)c1F
InChIInChI=1S/C20H10F6N2O2/c21-9-3-1-5-11(7-9)27-19(29)13-15(23)17(25)14(18(26)16(13)24)20(30)28-12-6-2-4-10(22)8-12/h1-8H,(H,27,29)(H,28,30)
InChIKeyYOIAYWSKZQYNKU-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,6-trifluoro-N-(3-fluorophenyl)-5-methyl-4-pyrrolidin-1-ylbenzamide
CID 87640477
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
N-(3-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110409928
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide (CID 3094065) is 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide is O=C(Nc1cccc(F)c1)c1c(F)c(F)c(C(=O)Nc2cccc(F)c2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is YOIAYWSKZQYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2O2/c21-9-3-1-5-11(7-9)27-19(29)13-15(23)17(25)14(18(26)16(13)24)20(30)28-12-6-2-4-10(22)8-12/h1-8H,(H,27,29)(H,28,30).
What are the key properties of 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide?
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 424.30 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 3094065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).