2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide

C28H16F4N2O2 — CID 5018859

IUPAC2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1c(F)c(F)c(C(=O)Nc2ccc3ccccc3c2)c(F)c1F
InChIInChI=1S/C28H16F4N2O2/c29-23-21(27(35)33-19-11-9-15-5-1-3-7-17(15)13-19)24(30)26(32)22(25(23)31)28(36)34-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H,33,35)(H,34,36)
InChIKeyHRPIGOMAYWJXBS-UHFFFAOYSA-N
MW488.44 g/mol
LogP7.05
Rot. Bonds4

About 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide

2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide (PubChem CID 5018859) has the molecular formula C28H16F4N2O2 and a molecular weight of 488.44 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
PubChem CID5018859
Molecular FormulaC28H16F4N2O2
Molecular Weight488.44 g/mol
Exact Mass488.11
IUPAC Name2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1c(F)c(F)c(C(=O)Nc2ccc3ccccc3c2)c(F)c1F
InChIInChI=1S/C28H16F4N2O2/c29-23-21(27(35)33-19-11-9-15-5-1-3-7-17(15)13-19)24(30)26(32)22(25(23)31)28(36)34-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H,33,35)(H,34,36)
InChIKeyHRPIGOMAYWJXBS-UHFFFAOYSA-N
XLogP7.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.44
LogP ≤ 57.05
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

4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
1-methyl-3-naphthalen-2-ylurea
CID 3454681
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide (CID 5018859) is 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide is O=C(Nc1ccc2ccccc2c1)c1c(F)c(F)c(C(=O)Nc2ccc3ccccc3c2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is HRPIGOMAYWJXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F4N2O2/c29-23-21(27(35)33-19-11-9-15-5-1-3-7-17(15)13-19)24(30)26(32)22(25(23)31)28(36)34-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H,33,35)(H,34,36).
What are the key properties of 2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide?
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 488.44 g/mol, XLogP of 7.05, 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-dinaphthalen-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 5018859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).