3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

C26H12F10N2O3 — CID 142665451

IUPAC3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESO=C(Nc1c(F)c(F)c(CF)c(F)c1F)c1ccc2cc(O)c(C(=O)Nc3c(F)c(F)c(CF)c(F)c3F)cc2c1
InChIInChI=1S/C26H12F10N2O3/c27-6-12-15(29)19(33)23(20(34)16(12)30)37-25(40)9-2-1-8-5-14(39)11(4-10(8)3-9)26(41)38-24-21(35)17(31)13(7-28)18(32)22(24)36/h1-5,39H,6-7H2,(H,37,40)(H,38,41)
InChIKeyIYKSLSKZZCQEPJ-UHFFFAOYSA-N
MW590.37 g/mol
LogP7.10
Rot. Bonds6

About 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (PubChem CID 142665451) has the molecular formula C26H12F10N2O3 and a molecular weight of 590.37 g/mol. Its IUPAC name is 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
PubChem CID142665451
Molecular FormulaC26H12F10N2O3
Molecular Weight590.37 g/mol
Exact Mass590.07
IUPAC Name3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESO=C(Nc1c(F)c(F)c(CF)c(F)c1F)c1ccc2cc(O)c(C(=O)Nc3c(F)c(F)c(CF)c(F)c3F)cc2c1
InChIInChI=1S/C26H12F10N2O3/c27-6-12-15(29)19(33)23(20(34)16(12)30)37-25(40)9-2-1-8-5-14(39)11(4-10(8)3-9)26(41)38-24-21(35)17(31)13(7-28)18(32)22(24)36/h1-5,39H,6-7H2,(H,37,40)(H,38,41)
InChIKeyIYKSLSKZZCQEPJ-UHFFFAOYSA-N
XLogP7.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.37
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16775537
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The IUPAC name of 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (CID 142665451) is 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.
What is the SMILES notation for 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The canonical SMILES for 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is O=C(Nc1c(F)c(F)c(CF)c(F)c1F)c1ccc2cc(O)c(C(=O)Nc3c(F)c(F)c(CF)c(F)c3F)cc2c1.
What is the InChIKey of 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The InChIKey is IYKSLSKZZCQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F10N2O3/c27-6-12-15(29)19(33)23(20(34)16(12)30)37-25(40)9-2-1-8-5-14(39)11(4-10(8)3-9)26(41)38-24-21(35)17(31)13(7-28)18(32)22(24)36/h1-5,39H,6-7H2,(H,37,40)(H,38,41).
What are the key properties of 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide has a molecular weight of 590.37 g/mol, XLogP of 7.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-N,7-N-bis[2,3,5,6-tetrafluoro-4-(fluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is sourced from PubChem (CID 142665451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).