N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid

C24H22F3NO5 — CID 174532511

IUPACN-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
SMILESO=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1.O=CO
InChIInChI=1S/C23H20F3NO3.CH2O2/c24-23(25,26)30-18-11-8-15(9-12-18)14-29-21-19-7-2-1-4-16(19)10-13-20(21)22(28)27-17-5-3-6-17;2-1-3/h1-2,4,7-13,17H,3,5-6,14H2,(H,27,28);1H,(H,2,3)
InChIKeyFFVHYNNNKPCRPN-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.30
Rot. Bonds6

About N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid

N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid (PubChem CID 174532511) has the molecular formula C24H22F3NO5 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid.

Molecular Properties

Compound NameN-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
PubChem CID174532511
Molecular FormulaC24H22F3NO5
Molecular Weight461.44 g/mol
Exact Mass461.15
IUPAC NameN-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
SMILESO=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1.O=CO
InChIInChI=1S/C23H20F3NO3.CH2O2/c24-23(25,26)30-18-11-8-15(9-12-18)14-29-21-19-7-2-1-4-16(19)10-13-20(21)22(28)27-17-5-3-6-17;2-1-3/h1-2,4,7-13,17H,3,5-6,14H2,(H,27,28);1H,(H,2,3)
InChIKeyFFVHYNNNKPCRPN-UHFFFAOYSA-N
XLogP5.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260
(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 168751666
4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
CID 174546186
methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
CID 168751677
1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide
CID 66701396
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
CID 146206489
1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149
(2S)-3,3-dimethyl-2-[[8-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-7-carbonyl]amino]butanoic acid
CID 168751627
(2S)-2-[[7-fluoro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-[1-(trifluoromethyl)cyclopropyl]acetic acid
CID 168751637
(2S)-3-hydroxy-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751650
(2S)-2-[[7-isocyano-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 168751623

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid?
The IUPAC name of N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid (CID 174532511) is N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid.
What is the SMILES notation for N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid?
The canonical SMILES for N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid is O=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1.O=CO.
What is the InChIKey of N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid?
The InChIKey is FFVHYNNNKPCRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO3.CH2O2/c24-23(25,26)30-18-11-8-15(9-12-18)14-29-21-19-7-2-1-4-16(19)10-13-20(21)22(28)27-17-5-3-6-17;2-1-3/h1-2,4,7-13,17H,3,5-6,14H2,(H,27,28);1H,(H,2,3).
What are the key properties of N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid?
N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid has a molecular weight of 461.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid is sourced from PubChem (CID 174532511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).