N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide

C23H19F4NO2 — CID 66701260

IUPACN-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F4NO2/c24-20-12-19(22(29)28-16-4-3-5-16)21(18-7-2-1-6-17(18)20)30-13-14-8-10-15(11-9-14)23(25,26)27/h1-2,6-12,16H,3-5,13H2,(H,28,29)
InChIKeyNMJLJDKQFPSGCP-UHFFFAOYSA-N
MW417.40 g/mol
LogP5.86
Rot. Bonds5

About N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide

N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide (PubChem CID 66701260) has the molecular formula C23H19F4NO2 and a molecular weight of 417.40 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
PubChem CID66701260
Molecular FormulaC23H19F4NO2
Molecular Weight417.40 g/mol
Exact Mass417.14
IUPAC NameN-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F4NO2/c24-20-12-19(22(29)28-16-4-3-5-16)21(18-7-2-1-6-17(18)20)30-13-14-8-10-15(11-9-14)23(25,26)27/h1-2,6-12,16H,3-5,13H2,(H,28,29)
InChIKeyNMJLJDKQFPSGCP-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.40
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2571368
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CID 4788977
CID 4788977
CID 16290373
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CID 25161591
CID 25161591
CID 14528115
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CID 21190844
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CID 44578637
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CID 46880009
CID 46880009

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide?
The IUPAC name of N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide (CID 66701260) is N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide is O=C(NC1CCC1)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide?
The InChIKey is NMJLJDKQFPSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4NO2/c24-20-12-19(22(29)28-16-4-3-5-16)21(18-7-2-1-6-17(18)20)30-13-14-8-10-15(11-9-14)23(25,26)27/h1-2,6-12,16H,3-5,13H2,(H,28,29).
What are the key properties of N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide?
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 66701260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).